ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
19256799
#1
  
 | Molport: MolPort-002-678-883
AKOS: AKOS000151099
Apexmol Building Blocks: AM101538
Asinex: BAS10150364
Asinex Building Blocks: BAS10150364...25 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.43,1.24,-86.96,4,3,2, 173.304, 3
hi: mol2,
SDF,
SMILES,
flexibase
-0.43,1.31,-113.76,4,3,2, 173.304, 3
hi: mol2,
SDF,
SMILES,
flexibase
-0.43,0.91,-32.05,3,3,1, 172.296, 3
|  |
19090196
#2
| eMolecules: 31412260
Molport: MolPort-016-583-115
Alinda Building Blocks: ALBB-027402
Ark Pharm Building Blocks: AK-95421
Chembo Pharma: KB-14166...18 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.31,4.13,-43.63,0,4,-1, 153.161, 2
mid: mol2,
SDF,
SMILES,
flexibase
-0.31,4.59,-41.42,1,4,0, 154.169, 2
Similar to: 41888801, 41888805, 41888939, 41889390, 41918876, ... 5 in total.
|  |
19090192
#3
| eMolecules: 31412260
Molport: MolPort-016-583-115
Alinda Building Blocks: ALBB-027402
Ark Pharm Building Blocks: AK-95421
Chembo Pharma: KB-14166...18 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.31,4.14,-43.67,0,4,-1, 153.161, 2
mid: mol2,
SDF,
SMILES,
flexibase
-0.31,4.6,-41.36,1,4,0, 154.169, 2
Similar to: 41888801, 41888805, 41888939, 41889390, 41918876, ... 5 in total.
|  |
14000382
#4
| Molport: MolPort-002-683-142
AK Scientific: 1379AD
Alinda Building Blocks: ALBB-027401
Asinex Building Blocks: BAS18538697
Chembo Pharma: KB-14036...22 total
ref: mol2,
SDF,
SMILES,
flexibase
0.26,4.75,-43.58,0,4,-1, 167.188, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.26,5.21,-40.28,1,4,0, 168.196, 3
Similar to: 40174735, 41671765, 41671768, 41888801, 41888805, ... 12 in total.
|  |
14000380
#5
| Molport: MolPort-002-683-142
AK Scientific: 1379AD
Alinda Building Blocks: ALBB-027401
Asinex Building Blocks: BAS18538697
Chembo Pharma: KB-14036...22 total
ref: mol2,
SDF,
SMILES,
flexibase
0.26,4.75,-44.1,0,4,-1, 167.188, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.26,5.21,-41.51,1,4,0, 168.196, 3
Similar to: 40174735, 41671765, 41671768, 41888801, 41888805, ... 12 in total.
|  |
19398055
#6
| eMolecules: 1522912, 5766152
Molport: MolPort-002-017-661, MolPort-003-991-366
AKOS: AKOS000163243
Ark Pharm Building Blocks: AK107145
Chembo Pharma: KB-33903...51 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.13,6.48,-51.31,1,4,0, 168.196, 4
mid: mol2,
SDF,
SMILES,
flexibase
-0.13,6,-46.62,0,4,-1, 167.188, 4
Similar to: 4384379,
|  |
9238267
#7
| ChemMol: 96707829, 44018367
eMolecules: 4858624, 15319460
Molport: MolPort-002-852-855, MolPort-003-836-939
Acorn PharmaTech: ACN-000466
AKOS: AKOS002658160...57 total
ref: mol2,
SDF,
SMILES,
flexibase
0.70,2.77,-8.24,1,3,0, 145.165, 1
ref: mol2,
SDF,
SMILES,
flexibase
0.70,2.69,-6.62,1,3,0, 145.165, 1
lo: mol2,
SDF,
SMILES,
flexibase
0.70,3.02,-35.36,2,3,1, 146.173, 1
|  |
5114223
#8
| Alfa-Aesar: H63416
American Custom Chemicals Corp.: CHM0292830
Cayman Chemical: 13222
Chembo Pharma: KB-81104, KB-19367, KB-19368
Element Store BB: b2star-94944-70-4...31 total
ref: mol2,
SDF,
SMILES,
flexibase
-2.56,-7.47,-12.54,5,7,0, 230.22, 5
ref: mol2,
SDF,
SMILES,
flexibase
-2.56,-7.52,-12.27,5,7,0, 230.22, 5
mid: mol2,
SDF,
SMILES,
flexibase
-2.56,-7.11,-42.49,6,7,1, 231.228, 5
Similar to: 31500048, 31500052, 31500056, 31500058, 38812675, ... 5 in total.
|  |
22115071
#9
| American Custom Chemicals Corp.: HCH0155961
Chembo Pharma: KB-02594, KB-52296
Exclusive Chemistry: EC-000.1907
Tractus: TRA0051876
Alfa Chemistry (Depleted): ACM328541793...14 total
ref: mol2,
SDF,
SMILES,
flexibase
5.02,4.26,-16.77,4,6,0, 493.155, 5
mid: mol2,
SDF,
SMILES,
flexibase
5.02,5.03,-51.42,3,6,-1, 492.147, 5
mid: mol2,
SDF,
SMILES,
flexibase
5.02,5.03,-46.41,3,6,-1, 492.147, 5
hi: mol2,
SDF,
SMILES,
flexibase
5.02,5.8,-119.56,2,6,-2, 491.139, 5
Similar to: 35881216, 38218177, 38245946,
|  |
49590253
#10
| Chembo Pharma: KB-08494
Exclusive Chemistry: EC-000.1826
BOC Sciences BB (Depleted): 1149-56-0
PubChem: 53397768, 11806997
SureChEMBL: SCHEMBL521925...7 total
ref: mol2,
SDF,
SMILES,
flexibase
5.39,10.34,-4.12,0,0,0, 248.247, 3
Similar to: 34619021, 43587386,
|  |
4244710
#11
| Exclusive Chemistry: EC-000.1799
Oakwood Chemical: 031117
Fluorochem (Depleted): 031117
ref: mol2,
SDF,
SMILES,
flexibase
2.83,5.54,-13.94,1,7,0, 320.326, 5
hi: mol2,
SDF,
SMILES,
flexibase
2.83,5.63,-30.91,0,7,-1, 319.318, 5
|  |
22114934
#12
| AK Scientific: 1468AA
Aldrich CPR: CDS019384|ALDRICH
Anward: ANW-44898
Ark Pharm Building Blocks: AK-72856
BePharm Building Blocks: B212198...18 total
ref: mol2,
SDF,
SMILES,
flexibase
1.96,4.02,-47.88,0,4,-1, 188.162, 2
Similar to: 32188531, 34398153,
|  |
22114926
#13
| APIChem: AC-22663
Ark Pharm Building Blocks: AK-81980
BioSynth: Q-101066
Capot Chemical: 17223
Exclusive Chemistry: EC-000.1788...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.40,4.22,-45.67,0,3,-1, 146.125, 1
mid: mol2,
SDF,
SMILES,
flexibase
1.40,3.18,-13.15,1,3,0, 147.133, 1
Similar to: 34628358,
|  |
295398
#14
| eMolecules: 979898
Molport: MolPort-001-786-005
AKOS: AKOS000513402
American Custom Chemicals Corp.: NEW0070931
Asinex: BAS00295781...18 total
ref: mol2,
SDF,
SMILES,
flexibase
5.31,12.44,-71.81,1,4,0, 297.378, 6
Similar to: 4521036, 32271002, 34365167, 34853719, ... 4 in total.
|  |
49590252
#15
| Chembo Pharma: KB-12673
Exclusive Chemistry: EC-000.1782
IBM Patent Data: 136299079
PubChem: 53397765, 12910670
SureChEMBL: SCHEMBL6546345...7 total
ref: mol2,
SDF,
SMILES,
flexibase
6.01,11.26,-3.29,0,0,0, 222.331, 3
|  |
16887565
#16
| Chembo Pharma: KB-27971, KB-07420
Exclusive Chemistry: EC-000.1768
Zylexa Pharma BB: ZP-BB-MP006919
ChEMBL19: CHEMBL1874888
PubChem: 11679879...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.52,2.75,-26.01,1,3,0, 172.187, 1
mid: mol2,
SDF,
SMILES,
flexibase
1.52,1.51,-7.45,1,3,0, 172.187, 1
|  |
49590251
#17
| AK Scientific: Y9619
AKOS: AKOS015835484
Aldrich CPR: CDS007742|ALDRICH
Anward: ANW-75330
Ark Pharm Building Blocks: AK-64729...31 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,7.5,-2.24,0,0,0, 211.102, 0
|  |
5819025
#18
| ChemMol: 1036060
eMolecules: 3441248
Capot Chemical: 8061
Chembo Pharma: KB-34527
Enamine: Z90663564...24 total
ref: mol2,
SDF,
SMILES,
flexibase
1.56,6.44,-11.66,1,5,0, 189.174, 2
ref: mol2,
SDF,
SMILES,
flexibase
1.56,6.39,-10.34,1,5,0, 189.174, 2
lo: mol2,
SDF,
SMILES,
flexibase
1.56,6.9,-49.08,2,5,1, 190.182, 2
lo: mol2,
SDF,
SMILES,
flexibase
1.56,6.91,-49.09,2,5,1, 190.182, 2
Similar to: 31891173, 34327979,
|  |
4714979
#19
| eMolecules: 10153244
Molport: MolPort-005-306-874
Acorn PharmaTech: ACN-000979
AK Scientific: Y6699, Y9850
Anward: ANW-59806...26 total
ref: mol2,
SDF,
SMILES,
flexibase
0.94,4.15,-14.98,1,5,0, 191.972, 1
mid: mol2,
SDF,
SMILES,
flexibase
0.94,4.65,-45.43,2,5,1, 192.98, 1
mid: mol2,
SDF,
SMILES,
flexibase
0.94,4.22,-9.06,1,5,0, 191.972, 1
hi: mol2,
SDF,
SMILES,
flexibase
0.94,3.69,-28.94,0,5,-1, 190.964, 1
|  |
22113464
#20
| eMolecules: 49400828
Molport: MolPort-019-955-445
Chembo Pharma: KB-45742
Exclusive Chemistry: EC-000.1664
Mcule: MCULE-2903736247...12 total
ref: mol2,
SDF,
SMILES,
flexibase
2.01,5.88,-31.92,2,4,1, 254.379, 3
hi: mol2,
SDF,
SMILES,
flexibase
2.47,1.82,-46.72,0,4,-1, 252.363, 3
lo: mol2,
SDF,
SMILES,
flexibase
2.01,6.34,-88.84,3,4,2, 255.387, 3
Similar to: 39937905,
|  |
22113311
#21
| Chembo Pharma: KB-47406
Exclusive Chemistry: EC-000.1570
Tetrahedron Building Blocks: TS15283
BOC Sciences BB (Depleted): 14451-43-5
ref: mol2,
SDF,
SMILES,
flexibase
-0.89,-0.58,-22.22,3,4,0, 184.22, 3
hi: mol2,
SDF,
SMILES,
flexibase
-0.89,-0.51,-17.31,3,4,0, 184.22, 3
hi: mol2,
SDF,
SMILES,
flexibase
-1.02,-1.21,-19.77,3,4,0, 184.22, 2
hi: mol2,
SDF,
SMILES,
flexibase
-0.89,-0.79,-12.63,3,4,0, 184.22, 3
hi: mol2,
SDF,
SMILES,
flexibase
-0.89,-0.71,-15,3,4,0, 184.22, 3
hi: mol2,
SDF,
SMILES,
flexibase
-1.02,-1.35,-12.59,3,4,0, 184.22, 2
lo: mol2,
SDF,
SMILES,
flexibase
-0.89,-0.68,-42.42,4,4,1, 185.228, 3
lo: mol2,
SDF,
SMILES,
flexibase
-0.89,-0.51,-38.67,4,4,1, 185.228, 3
Similar to: 31502530,
|  |
17044404
#22
| Chembo Pharma: KB-05761
Exclusive Chemistry: EC-000.1564
ChemDB: 5199377
PubChem: 313307
SureChEMBL: SCHEMBL5862583...5 total
ref: mol2,
SDF,
SMILES,
flexibase
1.05,3.22,-12.63,2,4,0, 260.318, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.05,3.81,-40.89,3,4,1, 261.326, 4
lo: mol2,
SDF,
SMILES,
flexibase
1.05,3.52,-32.71,3,4,1, 261.326, 4
lo: mol2,
SDF,
SMILES,
flexibase
1.05,3.5,-32.53,3,4,1, 261.326, 4
lo: mol2,
SDF,
SMILES,
flexibase
1.05,3.7,-36.1,3,4,1, 261.326, 4
Similar to: 31501876, 38732992, 5162401, 6575333, ... 4 in total.
|  |
6666972
#23
| ChemMol: 83602912
Molport: MolPort-016-631-044
Aldrich CPR: CBR00387|ALDRICH
BroadPharm: BP-10860
Chembo Pharma: KB-243220...14 total
ref: mol2,
SDF,
SMILES,
flexibase
1.80,3.49,-9.58,1,3,0, 178.216, 2
ref: mol2,
SDF,
SMILES,
flexibase
1.80,3.52,-10.93,1,3,0, 178.216, 2
|  |
6666971
#24
| Molport: MolPort-016-631-045
Aldrich CPR: CDS005815|ALDRICH
Chembo Pharma: KB-243219, KB-40567
ChemBridge BuildingBlocks: 4015886
Combi-Blocks: QB-3283...14 total
ref: mol2,
SDF,
SMILES,
flexibase
1.16,3.07,-12.54,1,4,0, 162.148, 2
ref: mol2,
SDF,
SMILES,
flexibase
1.16,3.1,-13.88,1,4,0, 162.148, 2
|  |
13426458
#25
| eMolecules: 1421853
Molport: MolPort-001-989-262, MolPort-003-991-667
Aronis: e00758
Capot Chemical: 8051
Chembo Pharma: KB-24592...22 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.40,4.05,-43.1,0,4,-1, 139.134, 2
mid: mol2,
SDF,
SMILES,
flexibase
-0.40,4.55,-39.04,1,4,0, 140.142, 2
Similar to: 41892074, 41892078, 41892215, 41892657, ... 5 in total.
|  |
38536675
#26
| ChemMol: 44020876
Molport: MolPort-002-499-668
AK Scientific: 0300AB
American Custom Chemicals Corp.: CHM0016125
Ark Pharm Building Blocks: AK122348...30 total
ref: mol2,
SDF,
SMILES,
flexibase
1.41,6.38,-31.32,3,2,1, 205.325, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.41,6.78,-121.55,4,2,2, 206.333, 4
Similar to: 41681629, 41681630, 36787565, 36787566, 36789299, ... 39 in total.
|  |
22073590
#27
| Chembo Pharma: KB-57641
Exclusive Chemistry: EC-000.1359
UORSY BB Make-on-demand: BBV-32852247
ref: mol2,
SDF,
SMILES,
flexibase
2.26,5.33,-32.15,2,2,1, 219.352, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.26,8.69,-32.02,2,2,1, 219.352, 5
lo: mol2,
SDF,
SMILES,
flexibase
2.26,8.71,-112.02,3,2,2, 220.36, 5
Similar to: 34993528, 22073588,
|  |
22073588
#28
| Chembo Pharma: KB-57641
Exclusive Chemistry: EC-000.1359
UORSY BB Make-on-demand: BBV-32852247
ref: mol2,
SDF,
SMILES,
flexibase
2.26,6.61,-34.75,2,2,1, 219.352, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.26,7.34,-34.48,2,2,1, 219.352, 5
lo: mol2,
SDF,
SMILES,
flexibase
2.26,8.63,-117.32,3,2,2, 220.36, 5
Similar to: 22073590, 34993528,
|  |
39141005
#29
| Chembo Pharma: KB-57276
Exclusive Chemistry: EC-000.1357
Otava (Virtual): 7020690595
Otava BuildingBlocks (Depleted): 7020690595
PubChem: 22689593...10 total
ref: mol2,
SDF,
SMILES,
flexibase
1.76,6.66,-34.67,3,2,1, 207.341, 6
mid: mol2,
SDF,
SMILES,
flexibase
1.76,6.97,-118.77,4,2,2, 208.349, 6
Similar to: 41681629, 41681630, 42781673, 42781674, ... 40 in total.
|  |
22073586
#30
| Chembo Pharma: KB-57335
Exclusive Chemistry: EC-000.1356
PubChem: 12146633
Ambinter: Amb5493965
Enamine BB Make on Demand: BBV-33663839...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.61,7.03,-34.49,2,2,1, 221.368, 7
mid: mol2,
SDF,
SMILES,
flexibase
2.61,7.45,-33.61,2,2,1, 221.368, 7
lo: mol2,
SDF,
SMILES,
flexibase
2.61,8.73,-115.54,3,2,2, 222.376, 7
Similar to: 34426189, 34426190, 34456408, 34456409, 45689840, ... 7 in total.
|  |
22073584
#31
| Chembo Pharma: KB-57335
Exclusive Chemistry: EC-000.1356
PubChem: 12146633
Ambinter: Amb5493965
Enamine BB Make on Demand: BBV-33663839...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.61,7.38,-34.2,2,2,1, 221.368, 7
mid: mol2,
SDF,
SMILES,
flexibase
2.61,7.93,-29.52,2,2,1, 221.368, 7
lo: mol2,
SDF,
SMILES,
flexibase
2.61,9.01,-113.34,3,2,2, 222.376, 7
Similar to: 22073586, 34426189, 34426190, 34456408, 34456409, ... 13 in total.
|  |
19370509
#32
| eMolecules: 846677
Chembo Pharma: KB-57275
Enamine Building Blocks: EN300-56494
Exclusive Chemistry: EC-000.1355
Molport BB: MolPort-000-889-187...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.30,2.46,-20.22,2,2,0, 130.235, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.30,3.04,-113.44,4,2,2, 132.251, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.30,2.75,-26.97,3,2,1, 131.243, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.30,1.03,-35.52,3,2,1, 131.243, 4
Similar to: 34588077, 34588078, 37078647, 37078648, 37094602, ... 8 in total.
|  |
19370506
#33
| eMolecules: 846677
Chembo Pharma: KB-57275
Enamine Building Blocks: EN300-56494
Exclusive Chemistry: EC-000.1355
Molport BB: MolPort-000-889-187...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.30,2.72,-17.85,2,2,0, 130.235, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.30,3.02,-113.47,4,2,2, 132.251, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.30,2.78,-28.5,3,2,1, 131.243, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.30,1.21,-35.63,3,2,1, 131.243, 4
Similar to: 34588077, 34588078, 37078647, 37078648, 37094602, ... 8 in total.
|  |
19735136
#34
| AK Scientific: 8452AC
AKOS: AKOS000142569
Ark Pharm Building Blocks: AK160552
Bide Pharmatech BB: BD51708
Boerchem Pharmatech BB: BC640377...43 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.45,-0.39,-35.08,3,2,1, 103.189, 2
mid: mol2,
SDF,
SMILES,
flexibase
-0.45,1.45,-30.28,3,2,1, 103.189, 2
|  |
19735137
#35
| AK Scientific: 8452AC
AKOS: AKOS000142569
Ark Pharm Building Blocks: AK160552
Bide Pharmatech BB: BD51708
Boerchem Pharmatech BB: BC640377...44 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.45,-0.32,-35.19,3,2,1, 103.189, 2
mid: mol2,
SDF,
SMILES,
flexibase
-0.45,1.38,-28.51,3,2,1, 103.189, 2
|  |
22073582
#36
| AKOS: AKOS002671041
Chembo Pharma: KB-57657
Exclusive Chemistry: EC-000.1352
Innovapharm BB Make on Demand: BBV-00017907
PubChem: 18804085...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.76,9.03,-117.16,3,2,2, 234.387, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.76,7.91,-29.5,2,2,1, 233.379, 5
Similar to: 40165703, 40165704, 40165705, 40165706, 43393701, ... 7 in total.
|  |
22073580
#37
| AKOS: AKOS002671041
Chembo Pharma: KB-57657
Exclusive Chemistry: EC-000.1352
Innovapharm BB Make on Demand: BBV-00017907
PubChem: 18804085...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.76,9.02,-117.05,3,2,2, 234.387, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.76,8.14,-29.25,2,2,1, 233.379, 5
Similar to: 22073582, 40165703, 40165704, 40165705, 40165706, ... 7 in total.
|  |
22073578
#38
| Chembo Pharma: KB-58185
Exclusive Chemistry: EC-000.1351
ref: mol2,
SDF,
SMILES,
flexibase
1.39,4.52,-33.48,2,2,1, 171.308, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.39,6.4,-108.38,3,2,2, 172.316, 4
hi: mol2,
SDF,
SMILES,
flexibase
1.39,4.82,-26.89,2,2,1, 171.308, 4
Similar to: 45691475, 45691478, 22073576,
|  |
22073576
#39
| Chembo Pharma: KB-58185
Exclusive Chemistry: EC-000.1351
ref: mol2,
SDF,
SMILES,
flexibase
1.39,4.27,-34.17,2,2,1, 171.308, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.39,6.18,-111.33,3,2,2, 172.316, 4
hi: mol2,
SDF,
SMILES,
flexibase
1.39,4.67,-27.89,2,2,1, 171.308, 4
Similar to: 22073578, 45691475, 45691478,
|  |
22073572
#40
| Chembo Pharma: KB-58578
Exclusive Chemistry: EC-000.1350
Enamine BB Make on Demand: BBV-34334968
ref: mol2,
SDF,
SMILES,
flexibase
1.37,3.42,-35.14,2,2,1, 157.281, 3
mid: mol2,
SDF,
SMILES,
flexibase
1.37,5.34,-111.21,3,2,2, 158.289, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.37,3.88,-26.73,2,2,1, 157.281, 3
Similar to: 22073574,
|  |
22073574
#41
| Chembo Pharma: KB-58578
Exclusive Chemistry: EC-000.1350
Enamine BB Make on Demand: BBV-34334968
ref: mol2,
SDF,
SMILES,
flexibase
1.37,3.31,-35.2,2,2,1, 157.281, 3
mid: mol2,
SDF,
SMILES,
flexibase
1.37,5.29,-111.25,3,2,2, 158.289, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.37,3.68,-28.06,2,2,1, 157.281, 3
Similar to: 22073572,
|  |
22073570
#42
| Chembo Pharma: KB-57658
Exclusive Chemistry: EC-000.1348
Molport BB: MolPort-006-415-970
Aronis BB Make-on-demand: BLOCK34441
Innovapharm BB Make on Demand: BBV-00037881...12 total
ref: mol2,
SDF,
SMILES,
flexibase
2.43,8.41,-117.25,3,2,2, 220.36, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.43,7.07,-34.06,2,2,1, 219.352, 5
Similar to: 33882296, 34929055, 37049295,
|  |
23093669
#43
| eMolecules: 32355712
Molport: MolPort-016-583-076
Chembo Pharma: KB-58186
ChemBridge: 4011015
ChemBridge BuildingBlocks: 4011015...10 total
ref: mol2,
SDF,
SMILES,
flexibase
1.06,3.21,-35.39,2,2,1, 157.281, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.06,5.41,-106.9,3,2,2, 158.289, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.06,4.05,-30.51,2,2,1, 157.281, 4
Similar to: 41168362, 41202819, 41202825, 41209517, ... 4 in total.
|  |
19358779
#44
| Acros Organics: 16161
Alfa-Aesar: A18373
Anward: ANW-53141, ANW-26235
Ark Pharm Building Blocks: AK-93384, AK-45168
BePharm Building Blocks: B49822...36 total
ref: mol2,
SDF,
SMILES,
flexibase
0.06,0.44,-42.48,3,2,1, 129.227, 2
mid: mol2,
SDF,
SMILES,
flexibase
0.06,2.72,-111.18,4,2,2, 130.235, 2
hi: mol2,
SDF,
SMILES,
flexibase
0.06,2.3,-29.81,3,2,1, 129.227, 2
Similar to: 39023369,
|  |
22073568
#45
| Chembo Pharma: KB-57659
Exclusive Chemistry: EC-000.1344
PubChem: 17999030
Ambinter: Amb5493959
Enamine BB Make on Demand: BBV-44222287...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.26,8.26,-112.35,3,2,2, 220.36, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.26,6.88,-32.35,2,2,1, 219.352, 5
Similar to: 22073566,
|  |
22073566
#46
| Chembo Pharma: KB-57659
Exclusive Chemistry: EC-000.1344
PubChem: 17999030
Ambinter: Amb5493959
Enamine BB Make on Demand: BBV-44222287...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.26,8.27,-112.32,3,2,2, 220.36, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.26,7.01,-30.91,2,2,1, 219.352, 5
Similar to: 22073568,
|  |
22073564
#47
| Chembo Pharma: KB-58187
Exclusive Chemistry: EC-000.1343
Enamine BB Make on Demand: BBV-34337491
UORSY BB Make-on-demand: BBV-34337491
ref: mol2,
SDF,
SMILES,
flexibase
0.89,3.36,-32.74,2,2,1, 157.281, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.89,5.42,-109.48,3,2,2, 158.289, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.89,5.31,-27.09,2,2,1, 157.281, 4
Similar to: 34369882, 34369883, 41681604,
|  |
22073562
#48
| Chembo Pharma: KB-58187
Exclusive Chemistry: EC-000.1343
Enamine BB Make on Demand: BBV-34337491
UORSY BB Make-on-demand: BBV-34337491
ref: mol2,
SDF,
SMILES,
flexibase
0.89,2.88,-35.83,2,2,1, 157.281, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.89,5.28,-103.72,3,2,2, 158.289, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.89,4.01,-29.17,2,2,1, 157.281, 4
Similar to: 22073564, 34369882, 34369883, 41681604, ... 4 in total.
|  |
22073558
#49
| eMolecules: 33371913
Molport: MolPort-019-931-361
AK Scientific: 2670AF
Alinda Building Blocks: ALBB-016399
Chembo Pharma: KB-58580...18 total
ref: mol2,
SDF,
SMILES,
flexibase
0.86,2.02,-37.04,2,2,1, 143.254, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.86,4.41,-102.84,3,2,2, 144.262, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.86,4.49,-26.82,2,2,1, 143.254, 3
Similar to: 22073560, 34369882, 34369883, 41681604, ... 4 in total.
|  |
22073560
#50
| eMolecules: 33371913
Molport: MolPort-019-931-361
AK Scientific: 2670AF
Alinda Building Blocks: ALBB-016399
Chembo Pharma: KB-58580...18 total
ref: mol2,
SDF,
SMILES,
flexibase
0.86,2.43,-33.58,2,2,1, 143.254, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.86,4.55,-108.92,3,2,2, 144.262, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.86,3.04,-29.19,2,2,1, 143.254, 3
Similar to: 34369882, 34369883, 41681604,
|  |
19735764
#51
| eMolecules: 1522971
Molport: MolPort-002-017-688
AK Scientific: 4557AE
Ark Pharm Building Blocks: AK-94945
Asinex Building Blocks: BAS10153448...46 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.12,2.52,-106.39,4,2,2, 130.235, 2
hi: mol2,
SDF,
SMILES,
flexibase
-0.12,2.81,-26.18,3,2,1, 129.227, 2
Similar to: 26516289, 26516291, 36790258, 36790259, ... 4 in total.
|  |
19735763
#52
| eMolecules: 1522971
Molport: MolPort-002-017-688
AK Scientific: 4557AE
Ark Pharm Building Blocks: AK-94945
Asinex Building Blocks: BAS10153448...46 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.12,2.52,-106.37,4,2,2, 130.235, 2
hi: mol2,
SDF,
SMILES,
flexibase
-0.12,2.17,-28.69,3,2,1, 129.227, 2
Similar to: 26516289, 26516291,
|  |
20126974
#53
| eMolecules: 33298643
Molport: MolPort-016-636-677, MolPort-004-906-888
Chembo Pharma: KB-301706, KB-57660
Enamine: Z86205465
Enamine Building Blocks: EN300-72605...24 total
ref: mol2,
SDF,
SMILES,
flexibase
1.93,7.72,-115.07,3,2,2, 206.333, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.93,6.22,-33.79,2,2,1, 205.325, 5
Similar to: 34521664, 34993528,
|  |
19365598
#54
| eMolecules: 3725025
Molport: MolPort-003-726-257, MolPort-019-594-211
Ark Pharm Building Blocks: AK106001
BePharm Building Blocks: B227591
Chembo Pharma: KB-58581...25 total
ref: mol2,
SDF,
SMILES,
flexibase
0.53,1.24,-37.12,2,2,1, 129.227, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.53,3.78,-105.93,3,2,2, 130.235, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.53,2.29,-31.14,2,2,1, 129.227, 3
Similar to: 19721788, 36882437, 39298410, 41202822, ... 4 in total.
|  |
19230183
#55
| ChemMol: 44035269, 1203013, 44021023, 96700031, 97800088
eMolecules: 534359
Molport: MolPort-001-794-374, MolPort-016-634-368
Acorn PharmaTech: ACN-S003739
Acros Organics: 10370...102 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.45,2.02,-108.23,4,2,2, 116.208, 2
hi: mol2,
SDF,
SMILES,
flexibase
-0.45,1.62,-29.69,3,2,1, 115.2, 2
Similar to: 34523500,
|  |
22073552
#56
| Chembo Pharma: KB-57290
Exclusive Chemistry: EC-000.1336
Ambinter: Amb5493955
ref: mol2,
SDF,
SMILES,
flexibase
2.61,6.57,-35.78,2,2,1, 221.368, 7
mid: mol2,
SDF,
SMILES,
flexibase
2.61,7.43,-28.55,2,2,1, 221.368, 7
Similar to: 34426189, 34426190, 34456408, 34456409, 34992915, ... 11 in total.
|  |
22073550
#57
| Chembo Pharma: KB-57290
Exclusive Chemistry: EC-000.1336
Ambinter: Amb5493955
ref: mol2,
SDF,
SMILES,
flexibase
2.61,6.71,-36.94,2,2,1, 221.368, 7
mid: mol2,
SDF,
SMILES,
flexibase
2.61,7.34,-30.36,2,2,1, 221.368, 7
Similar to: 22073552, 34426189, 34426190, 34456408, 34456409, ... 11 in total.
|  |
22073548
#58
| Chembo Pharma: KB-57282
Exclusive Chemistry: EC-000.1335
Enamine BB Make on Demand: BBV-34337512
UORSY BB Make-on-demand: BBV-34337512
ref: mol2,
SDF,
SMILES,
flexibase
1.24,3.95,-31.85,2,2,1, 159.297, 6
mid: mol2,
SDF,
SMILES,
flexibase
1.24,5.78,-104.48,3,2,2, 160.305, 6
hi: mol2,
SDF,
SMILES,
flexibase
1.24,4.22,-26.36,2,2,1, 159.297, 6
Similar to: 22073534, 22073536, 22073546,
|  |
22073546
#59
| Chembo Pharma: KB-57282
Exclusive Chemistry: EC-000.1335
Enamine BB Make on Demand: BBV-34337512
UORSY BB Make-on-demand: BBV-34337512
ref: mol2,
SDF,
SMILES,
flexibase
1.24,3.68,-34.22,2,2,1, 159.297, 6
mid: mol2,
SDF,
SMILES,
flexibase
1.24,5.82,-102.75,3,2,2, 160.305, 6
hi: mol2,
SDF,
SMILES,
flexibase
1.24,4.72,-27.51,2,2,1, 159.297, 6
Similar to: 22073548, 22073534, 22073536,
|  |
22073544
#60
| Chembo Pharma: KB-57323
Exclusive Chemistry: EC-000.1334
Enamine BB Make on Demand: BBV-34337511
UORSY BB Make-on-demand: BBV-34337511
ref: mol2,
SDF,
SMILES,
flexibase
1.21,2.86,-35.55,2,2,1, 145.27, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.21,4.99,-102.84,3,2,2, 146.278, 5
hi: mol2,
SDF,
SMILES,
flexibase
1.21,4.38,-26.14,2,2,1, 145.27, 5
hi: mol2,
SDF,
SMILES,
flexibase
1.21,2.14,-0.65,1,2,0, 144.262, 5
Similar to: 52445802, 52445805, 22073542,
|  |
22073542
#61
| Chembo Pharma: KB-57323
Exclusive Chemistry: EC-000.1334
Enamine BB Make on Demand: BBV-34337511
UORSY BB Make-on-demand: BBV-34337511
ref: mol2,
SDF,
SMILES,
flexibase
1.21,3.11,-32.86,2,2,1, 145.27, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.21,4.95,-104.63,3,2,2, 146.278, 5
hi: mol2,
SDF,
SMILES,
flexibase
1.21,3.12,-27.78,2,2,1, 145.27, 5
hi: mol2,
SDF,
SMILES,
flexibase
1.21,1.37,-0.44,1,2,0, 144.262, 5
Similar to: 22073544, 52445802, 52445805,
|  |
19735766
#62
| AK Scientific: 4660AE
AKOS: AKOS000138637
Asinex: ASN12679140
Asinex Building Blocks: BAS12679140
Chembo Pharma: KB-57322...34 total
ref: mol2,
SDF,
SMILES,
flexibase
0.23,2.69,-109.53,4,2,2, 132.251, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.23,2.33,-27.11,3,2,1, 131.243, 4
Similar to: 37081762, 37081763,
|  |
19735765
#63
| AK Scientific: 4660AE
AKOS: AKOS000138637
Asinex: ASN12679140
Asinex Building Blocks: BAS12679140
Chembo Pharma: KB-57322...34 total
ref: mol2,
SDF,
SMILES,
flexibase
0.23,2.76,-109.38,4,2,2, 132.251, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.23,2.81,-25.74,3,2,1, 131.243, 4
Similar to: 37081762, 37081763,
|  |
19365599
#64
| eMolecules: 859673
Molport: MolPort-000-894-604
Scientific Exchange (make on demand): M-876203
AKOS: AKOS000235189
Aldrich CPR: S381861|ALDRICH...37 total
ref: mol2,
SDF,
SMILES,
flexibase
2.28,5.76,-39.06,2,2,1, 207.341, 7
mid: mol2,
SDF,
SMILES,
flexibase
2.28,6.38,-33.77,2,2,1, 207.341, 7
Similar to: 34624168,
|  |
19366528
#65
| Acros Organics: 13962
Anward: ANW-15163
Chembo Pharma: KB-57271
Exclusive Chemistry: EC-000.1331
J&K Chemical: A01368827...13 total
ref: mol2,
SDF,
SMILES,
flexibase
0.91,2.47,-36.15,2,2,1, 145.27, 6
mid: mol2,
SDF,
SMILES,
flexibase
0.91,4.79,-105.56,3,2,2, 146.278, 6
hi: mol2,
SDF,
SMILES,
flexibase
0.90,3.54,-29.78,2,2,1, 145.27, 6
Similar to: 23352663,
|  |
19275844
#66
| ChemMol: 44021984
AK Scientific: 1063AA
AKOS: AKOS000156802
Anward: ANW-15111
Ark Pharm Building Blocks: AK111296...37 total
ref: mol2,
SDF,
SMILES,
flexibase
0.88,4.03,-102.44,3,2,2, 132.251, 5
hi: mol2,
SDF,
SMILES,
flexibase
0.88,2.6,-29.56,2,2,1, 131.243, 5
Similar to: 23352663,
|  |
22073540
#67
| Chembo Pharma: KB-57292
Exclusive Chemistry: EC-000.1328
PubChem: 17999026
Ambinter: Amb5493952
Enamine BB Make on Demand: BBV-32336014...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.86,5.04,-36.64,2,2,1, 193.314, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.86,6.1,-30.62,2,2,1, 193.314, 5
Similar to: 22073550, 22073552, 34456408, 34456409, 34992915, ... 9 in total.
|  |
22073538
#68
| Chembo Pharma: KB-57292
Exclusive Chemistry: EC-000.1328
PubChem: 17999026
Ambinter: Amb5493952
Enamine BB Make on Demand: BBV-32336014...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.86,5.17,-36.41,2,2,1, 193.314, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.86,5.98,-32.79,2,2,1, 193.314, 5
Similar to: 22073540, 22073550, 22073552, 34426189, 34426190, ... 11 in total.
|  |
22073536
#69
| Chembo Pharma: KB-57300
Exclusive Chemistry: EC-000.1327
Enamine BB Make on Demand: BBV-34330017
UORSY BB Make-on-demand: BBV-34330017
ref: mol2,
SDF,
SMILES,
flexibase
0.48,2.32,-32.53,2,2,1, 131.243, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.48,4.38,-108.34,3,2,2, 132.251, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.48,2.97,-28.11,2,2,1, 131.243, 4
Similar to: 22073546, 22073548, 22073534,
|  |
22073534
#70
| Chembo Pharma: KB-57300
Exclusive Chemistry: EC-000.1327
Enamine BB Make on Demand: BBV-34330017
UORSY BB Make-on-demand: BBV-34330017
ref: mol2,
SDF,
SMILES,
flexibase
0.48,2.27,-32.57,2,2,1, 131.243, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.48,4.38,-108.37,3,2,2, 132.251, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.48,2.81,-29.68,2,2,1, 131.243, 4
Similar to: 22073536, 22073546, 22073548,
|  |
22073530
#71
| Chembo Pharma: KB-57283
Exclusive Chemistry: EC-000.1326
PBMR Labs Building Blocks: RBK_018772
PubChem: 15113279
Enamine BB Make on Demand: BBV-34335271...6 total
ref: mol2,
SDF,
SMILES,
flexibase
0.46,1.36,-33.49,2,2,1, 117.216, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.46,3.5,-108.28,3,2,2, 118.224, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.46,2,-28.01,2,2,1, 117.216, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.46,-0.58,-1.11,1,2,0, 116.208, 3
Similar to: 22073532, 32194610, 32194615, 34469743, 34469745, ... 10 in total.
|  |
22073532
#72
| Chembo Pharma: KB-57283
Exclusive Chemistry: EC-000.1326
PBMR Labs Building Blocks: RBK_018772
PubChem: 15113279
Enamine BB Make on Demand: BBV-34335271...6 total
ref: mol2,
SDF,
SMILES,
flexibase
0.46,1.44,-33.42,2,2,1, 117.216, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.46,3.55,-108.2,3,2,2, 118.224, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.46,1.84,-29.88,2,2,1, 117.216, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.46,-0.11,-0.8,1,2,0, 116.208, 3
Similar to: 32194610, 32194615, 34469743, 34469745, 34621677, ... 10 in total.
|  |
19367503
#73
| eMolecules: 480030
Molport: MolPort-001-791-509
Scientific Exchange (make on demand): H-040442
Alfa-Aesar: L03180
Exclusive Chemistry: EC-000.1324...12 total
ref: mol2,
SDF,
SMILES,
flexibase
0.15,1.1,-35.56,2,2,1, 117.216, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.15,3.63,-104.1,3,2,2, 118.224, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.15,2.22,-32.59,2,2,1, 117.216, 4
Similar to: 23352663,
|  |
19279645
#74
| ChemMol: 1202804
Molport: MolPort-020-180-007
Acros Organics: 36691
AK Scientific: Z4158, W5447
AKOS: AKOS000155192...85 total
ref: mol2,
SDF,
SMILES,
flexibase
0.13,2.68,-101.53,3,2,2, 104.197, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.13,1.25,-31.55,2,2,1, 103.189, 3
Similar to: 1720067,
|  |
22073528
#75
| Chembo Pharma: KB-56763
Exclusive Chemistry: EC-000.1322
ref: mol2,
SDF,
SMILES,
flexibase
2.78,5.69,-39.5,2,2,1, 213.389, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.78,7.84,-107.33,3,2,2, 214.397, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.78,6.8,-25.52,2,2,1, 213.389, 6
Similar to: 33802861, 33802862, 33802863, 37080983, 37080984, ... 17 in total.
|  |
22073526
#76
| Chembo Pharma: KB-56763
Exclusive Chemistry: EC-000.1322
ref: mol2,
SDF,
SMILES,
flexibase
2.78,6.34,-35.82,2,2,1, 213.389, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.78,8.25,-111.52,3,2,2, 214.397, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.78,6.89,-27.24,2,2,1, 213.389, 6
Similar to: 33802861, 33802862, 33802863, 37092905, 41681650, ... 14 in total.
|  |
22073516
#77
| Chembo Pharma: KB-56756
Exclusive Chemistry: EC-000.1319
ref: mol2,
SDF,
SMILES,
flexibase
2.49,5.42,-33.84,2,2,1, 199.362, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.49,7.97,-107.84,3,2,2, 200.37, 6
hi: mol2,
SDF,
SMILES,
flexibase
2.49,6.57,-26.95,2,2,1, 199.362, 6
Similar to: 41681650, 19441862, 19441863, 19484860, 19484862, ... 10 in total.
|  |
22073514
#78
| Chembo Pharma: KB-56756
Exclusive Chemistry: EC-000.1319
ref: mol2,
SDF,
SMILES,
flexibase
2.49,5.99,-35.5,2,2,1, 199.362, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.49,7.93,-111.55,3,2,2, 200.37, 6
hi: mol2,
SDF,
SMILES,
flexibase
2.49,6.62,-28.7,2,2,1, 199.362, 6
Similar to: 41681650, 19441862, 19441863, 19484860, 19484862, ... 10 in total.
|  |
22073511
#79
| Chembo Pharma: KB-56770
Exclusive Chemistry: EC-000.1318
UORSY BB Make-on-demand: BBV-34553984
ref: mol2,
SDF,
SMILES,
flexibase
2.11,5.22,-35.07,2,2,1, 185.335, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.11,7.26,-112.49,3,2,2, 186.343, 5
hi: mol2,
SDF,
SMILES,
flexibase
2.11,5.92,-27.87,2,2,1, 185.335, 5
Similar to: 41681650, 19441862, 19441863, 19484860, 19484862, ... 10 in total.
|  |
22073509
#80
| Chembo Pharma: KB-56770
Exclusive Chemistry: EC-000.1318
UORSY BB Make-on-demand: BBV-34553984
ref: mol2,
SDF,
SMILES,
flexibase
2.11,5.22,-35.06,2,2,1, 185.335, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.11,7.27,-112.53,3,2,2, 186.343, 5
hi: mol2,
SDF,
SMILES,
flexibase
2.11,6.01,-30.28,2,2,1, 185.335, 5
Similar to: 19441862, 19441863, 19484860, 19484862, 19512209, ... 9 in total.
|  |
22073507
#81
| Exclusive Chemistry: EC-000.1317
Enamine BB Make on Demand: BBV-37986180
ref: mol2,
SDF,
SMILES,
flexibase
2.22,4.89,-38.71,2,2,1, 199.362, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.22,7.05,-105.92,3,2,2, 200.37, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.22,6.03,-25.36,2,2,1, 199.362, 5
Similar to: 19441862, 19441863, 19484860, 19484862, 19512209, ... 9 in total.
|  |
22073505
#82
| Exclusive Chemistry: EC-000.1317
Enamine BB Make on Demand: BBV-37986180
ref: mol2,
SDF,
SMILES,
flexibase
2.22,4.86,-38.66,2,2,1, 199.362, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.22,7.02,-106.01,3,2,2, 200.37, 5
mid: mol2,
SDF,
SMILES,
flexibase
2.22,6.11,-27.09,2,2,1, 199.362, 5
Similar to: 37108766, 37111789, 19441862, 19441863, 19484860, ... 11 in total.
|  |
22073499
#83
| Exclusive Chemistry: EC-000.1315
Enamine BB Make on Demand: BBV-37986179
ref: mol2,
SDF,
SMILES,
flexibase
2.43,5.84,-34.92,2,2,1, 199.362, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.43,7.82,-112.63,3,2,2, 200.37, 6
hi: mol2,
SDF,
SMILES,
flexibase
2.43,6.53,-27.24,2,2,1, 199.362, 6
Similar to: 37080162, 37080163, 37081292, 37081293, 37097480, ... 17 in total.
|  |
22073496
#84
| Exclusive Chemistry: EC-000.1315
Enamine BB Make on Demand: BBV-37986179
ref: mol2,
SDF,
SMILES,
flexibase
2.43,4.99,-38.88,2,2,1, 199.362, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.43,7.24,-108.04,3,2,2, 200.37, 6
hi: mol2,
SDF,
SMILES,
flexibase
2.43,6.59,-28.96,2,2,1, 199.362, 6
Similar to: 36789292, 36789293, 36790959, 36790960, 36882753, ... 34 in total.
|  |
22073494
#85
| Exclusive Chemistry: EC-000.1314
Enamine BB Make on Demand: BBV-37997554
ref: mol2,
SDF,
SMILES,
flexibase
1.93,4.64,-33.15,2,2,1, 185.335, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.93,7.19,-106.39,3,2,2, 186.343, 5
hi: mol2,
SDF,
SMILES,
flexibase
1.93,5.79,-26.84,2,2,1, 185.335, 5
Similar to: 33793115, 33793116, 33793117, 33796730, 33796731, ... 40 in total.
|  |
22073492
#86
| Exclusive Chemistry: EC-000.1314
Enamine BB Make on Demand: BBV-37997554
ref: mol2,
SDF,
SMILES,
flexibase
1.93,5.21,-34.74,2,2,1, 185.335, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.93,7.15,-110.01,3,2,2, 186.343, 5
hi: mol2,
SDF,
SMILES,
flexibase
1.93,5.84,-28.57,2,2,1, 185.335, 5
Similar to: 33793115, 33793116, 33793117, 33796730, 33796731, ... 40 in total.
|  |
22073490
#87
| Chembo Pharma: KB-56771
Exclusive Chemistry: EC-000.1313
Enamine BB Make on Demand: BBV-34553985
UORSY BB Make-on-demand: BBV-34553985
ref: mol2,
SDF,
SMILES,
flexibase
1.55,3.74,-37.86,2,2,1, 171.308, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.55,6.08,-106.04,3,2,2, 172.316, 4
hi: mol2,
SDF,
SMILES,
flexibase
1.55,5.14,-27.72,2,2,1, 171.308, 4
Similar to: 33793115, 33793116, 33793117, 33796730, 33796731, ... 44 in total.
|  |
22073488
#88
| Chembo Pharma: KB-56771
Exclusive Chemistry: EC-000.1313
Enamine BB Make on Demand: BBV-34553985
UORSY BB Make-on-demand: BBV-34553985
ref: mol2,
SDF,
SMILES,
flexibase
1.55,4.53,-34.28,2,2,1, 171.308, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.55,6.5,-110.92,3,2,2, 172.316, 4
hi: mol2,
SDF,
SMILES,
flexibase
1.55,5.22,-30.11,2,2,1, 171.308, 4
Similar to: 33793115, 33793116, 33793117, 33796730, 33796731, ... 44 in total.
|  |
22073486
#89
| Exclusive Chemistry: EC-000.1312
Enamine BB Make on Demand: BBV-37986158
ref: mol2,
SDF,
SMILES,
flexibase
1.72,4.14,-37.61,2,2,1, 185.335, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.72,6.29,-103.61,3,2,2, 186.343, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.72,5.26,-25.1,2,2,1, 185.335, 4
Similar to: 33799318, 34327150, 34327152, 34606353, 34606354, ... 16 in total.
|  |
22073484
#90
| Exclusive Chemistry: EC-000.1312
Enamine BB Make on Demand: BBV-37986158
ref: mol2,
SDF,
SMILES,
flexibase
1.72,4.48,-32.54,2,2,1, 185.335, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.72,6.9,-102.08,3,2,2, 186.343, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.72,5.35,-26.87,2,2,1, 185.335, 4
Similar to: 22073486, 33799318, 34217782, 34327150, 34327152, ... 15 in total.
|  |
22073474
#91
| Chembo Pharma: KB-56758
Exclusive Chemistry: EC-000.1309
ref: mol2,
SDF,
SMILES,
flexibase
1.42,4.56,-33.86,2,2,1, 171.308, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.42,6.39,-107.35,3,2,2, 172.316, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.42,5.03,-26.56,2,2,1, 171.308, 4
Similar to: 22073484, 22073486, 34217782, 34327150, 34327152, ... 14 in total.
|  |
22073472
#92
| Chembo Pharma: KB-56758
Exclusive Chemistry: EC-000.1309
ref: mol2,
SDF,
SMILES,
flexibase
1.42,4.33,-33.8,2,2,1, 171.308, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.42,6.33,-108.17,3,2,2, 172.316, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.42,5.08,-28.31,2,2,1, 171.308, 4
Similar to: 22073474, 22073484, 22073486, 33799318, 34327150, ... 14 in total.
|  |
22073470
#93
| Apexmol Building Blocks: AM101109
Chembo Pharma: KB-51707, KB-56772
Exclusive Chemistry: EC-000.1308
Fluorochem: 087877
Oakwood Chemical: 087877...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.05,3.69,-33.44,2,2,1, 157.281, 3
mid: mol2,
SDF,
SMILES,
flexibase
1.05,5.72,-108.42,3,2,2, 158.289, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.05,4.38,-27.4,2,2,1, 157.281, 3
Similar to: 22073472, 22073474, 22073484, 22073486, 33799318, ... 15 in total.
|  |
22073467
#94
| Apexmol Building Blocks: AM101109
Chembo Pharma: KB-51707, KB-56772
Exclusive Chemistry: EC-000.1308
Fluorochem: 087877
Oakwood Chemical: 087877...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.05,3.76,-33.44,2,2,1, 157.281, 3
mid: mol2,
SDF,
SMILES,
flexibase
1.05,5.74,-108.38,3,2,2, 158.289, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.05,4.46,-29.85,2,2,1, 157.281, 3
Similar to: 22073470, 22073472, 22073474, 22073484, 22073486, ... 16 in total.
|  |
22936030
#95
| eMolecules: 24825352
Molport: MolPort-008-383-002
Aldrich CPR: CBR00038|ALDRICH
ChemBridge: 4100052
ChemBridge BuildingBlocks: 4100052...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.02,2.85,-33.68,2,2,1, 143.254, 2
mid: mol2,
SDF,
SMILES,
flexibase
1.02,4.41,-101.99,3,2,2, 144.262, 2
hi: mol2,
SDF,
SMILES,
flexibase
1.02,3.46,-27.2,2,2,1, 143.254, 2
Similar to: 38193761, 41362449, 41362451, 41362465, 41362467, ... 10 in total.
|  |
22073447
#96
| Chembo Pharma: KB-56767
Exclusive Chemistry: EC-000.1302
ref: mol2,
SDF,
SMILES,
flexibase
2.28,5.92,-33.75,2,2,1, 199.362, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.28,7.6,-107.22,3,2,2, 200.37, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.28,6.92,-27.2,2,2,1, 199.362, 6
Similar to: 36785616, 36785617, 36873690, 36873692, 37118315, ... 14 in total.
|  |
22073444
#97
| Chembo Pharma: KB-56767
Exclusive Chemistry: EC-000.1302
ref: mol2,
SDF,
SMILES,
flexibase
2.28,4.63,-39.53,2,2,1, 199.362, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.28,6.86,-105.22,3,2,2, 200.37, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.28,5.41,-28.09,2,2,1, 199.362, 6
Similar to: 36785616, 36785617, 36873690, 36873692, 37118315, ... 14 in total.
|  |
22073442
#98
| Chembo Pharma: KB-56753
Exclusive Chemistry: EC-000.1301
ref: mol2,
SDF,
SMILES,
flexibase
3.04,6.78,-36.14,2,2,1, 213.389, 8
mid: mol2,
SDF,
SMILES,
flexibase
3.04,8.88,-115.57,3,2,2, 214.397, 8
hi: mol2,
SDF,
SMILES,
flexibase
3.04,7.3,-29.3,2,2,1, 213.389, 8
Similar to: 36873690, 36873692, 37080167, 37080168, 37081297, ... 17 in total.
|  |
22073440
#99
| Chembo Pharma: KB-56753
Exclusive Chemistry: EC-000.1301
ref: mol2,
SDF,
SMILES,
flexibase
3.04,6.11,-38.9,2,2,1, 213.389, 8
mid: mol2,
SDF,
SMILES,
flexibase
3.04,8.42,-109.78,3,2,2, 214.397, 8
hi: mol2,
SDF,
SMILES,
flexibase
3.04,7.37,-27.68,2,2,1, 213.389, 8
Similar to: 36873690, 36873692, 37080167, 37080168, 37081297, ... 19 in total.
|  |
22073438
#100
| Chembo Pharma: KB-56779
Exclusive Chemistry: EC-000.1300
ref: mol2,
SDF,
SMILES,
flexibase
2.48,5.96,-35.28,2,2,1, 199.362, 7
mid: mol2,
SDF,
SMILES,
flexibase
2.48,8.08,-114.1,3,2,2, 200.37, 7
hi: mol2,
SDF,
SMILES,
flexibase
2.48,6.52,-28.73,2,2,1, 199.362, 7
Similar to: 36873690, 36873692, 37080167, 37080168, 37081297, ... 19 in total.
|  |
Old detail retrieval took 1 seconds.
select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 432 ) limit 0,100
