ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
75629732
#1
  
 | ChemMol: 81403181
Capot Chemical: 11755
FineTech: FT-0604038
ref: mol2,
SDF,
SMILES,
flexibase
-1.15,6.38,-76.29,1,8,-1, 283.26, 9
hi: mol2,
SDF,
SMILES,
flexibase
-1.15,4.29,-109.96,0,8,-2, 282.252, 9
|  |
75629731
#2
| Capot Chemical: 11506
PubChem: 60146153
ref: mol2,
SDF,
SMILES,
flexibase
-0.94,2.08,-43.55,3,2,1, 145.251, 2
hi: mol2,
SDF,
SMILES,
flexibase
-0.94,1.73,-8.57,2,2,0, 144.243, 2
|  |
75629730
#3
| Capot Chemical: 11502
Debye Scientific BB (Depleted): DB-064807
PubChem: 59946347, 60146151
ref: mol2,
SDF,
SMILES,
flexibase
0.74,4.73,-40.63,3,2,1, 201.359, 4
hi: mol2,
SDF,
SMILES,
flexibase
0.74,4.43,-7.49,2,2,0, 200.351, 4
|  |
75629729
#4
| Capot Chemical: 11497
Debye Scientific BB (Depleted): DB-065472
PubChem: 60146149
ref: mol2,
SDF,
SMILES,
flexibase
0.71,4.2,-43.23,3,2,1, 219.399, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.71,3.9,-5.71,2,2,0, 218.391, 4
|  |
75629728
#5
| Capot Chemical: 9864
PubChem: 60146148
ref: mol2,
SDF,
SMILES,
flexibase
0.52,2.18,-6.93,0,3,0, 144.08, 1
|  |
75629727
#6
| Capot Chemical: 11495
FineTech: FT-0603898
AKOS BB (make-on-demand): AKOS015910002
PubChem: 15728417
ref: mol2,
SDF,
SMILES,
flexibase
4.88,12.46,-58.19,1,9,-1, 454.54, 12
|  |
34579517
#7
| Capot Chemical: 11495
FineTech: FT-0603898
AKOS BB (make-on-demand): AKOS015910002
PubChem: 10961452, 15728417
ref: mol2,
SDF,
SMILES,
flexibase
4.88,12.57,-58.75,1,9,-1, 454.54, 12
Similar to: 2539203, 2555005,
|  |
75629726
#8
| Capot Chemical: 10336
PubChem: 60146145
ref: mol2,
SDF,
SMILES,
flexibase
5.49,7.16,-8.42,1,10,0, 423.495, 9
|  |
34187515
#9
| Capot Chemical: 11550
FineTech: FT-0603932
PubChem: 13919078, 13919079
SureChEMBL: SCHEMBL6456168, SCHEMBL6456176
ref: mol2,
SDF,
SMILES,
flexibase
4.22,6.93,-8.83,1,4,0, 283.755, 7
|  |
75629725
#10
| Ark Pharm Building Blocks: AK155690
Capot Chemical: 11519
FineTech: FT-0603915
AKOS BB (make-on-demand): AKOS015908727
PubChem: 11077771...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.89,4.87,-4.76,1,5,0, 310.188, 6
|  |
75629724
#11
| Ark Pharm Building Blocks: AK155690
Capot Chemical: 11519
FineTech: FT-0603915
AKOS BB (make-on-demand): AKOS015908727
PubChem: 11077771...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.89,4.55,-5.5,1,5,0, 310.188, 6
|  |
75629723
#12
| Capot Chemical: 11488
FineTech: FT-0603896
PubChem: 60146140
ref: mol2,
SDF,
SMILES,
flexibase
0.51,2.66,-48.91,3,7,1, 238.252, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.51,2.3,-7.3,2,7,0, 237.244, 3
|  |
75629722
#13
| Capot Chemical: 11484
FineTech: FT-0603893
PubChem: 60146139
ref: mol2,
SDF,
SMILES,
flexibase
6.02,7.77,-7.43,1,9,0, 393.469, 7
|  |
75629721
#14
| Capot Chemical: 10338
PubChem: 60146138
ref: mol2,
SDF,
SMILES,
flexibase
7.36,10.53,-10.67,1,10,0, 499.593, 10
|  |
75629720
#15
| Capot Chemical: 11721
FineTech: FT-0604020
PubChem: 53482059, 53482058
ref: mol2,
SDF,
SMILES,
flexibase
-0.24,2.33,-14.55,3,6,0, 245.238, 3
|  |
75629719
#16
| AK Scientific: 5323AC
Anward: ANW-71180
Ark Pharm Building Blocks: AK104591
BePharm Building Blocks: B238799
Capot Chemical: 9154...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,10.03,-10.41,0,5,0, 319.401, 5
|  |
75629718
#17
| AK Scientific: 5323AC
Anward: ANW-71180
Ark Pharm Building Blocks: AK104591
BePharm Building Blocks: B238799
Capot Chemical: 9154...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,10.01,-10.36,0,5,0, 319.401, 5
|  |
75629717
#18
| Capot Chemical: 9922
Enamine Building Blocks: EN300-209574
Molport BB: MolPort-038-948-247
SureChEMBL: SCHEMBL8773072
ref: mol2,
SDF,
SMILES,
flexibase
2.47,4.12,-2.59,2,1,0, 233.052, 0
|  |
75629716
#19
| Capot Chemical: 11517
AKOS BB (make-on-demand): AKOS015909415
PubChem: 56845439
ref: mol2,
SDF,
SMILES,
flexibase
4.16,4.75,-4.63,1,5,0, 343.161, 6
|  |
75629715
#20
| Capot Chemical: 11517
AKOS BB (make-on-demand): AKOS015909415
PubChem: 56845439
ref: mol2,
SDF,
SMILES,
flexibase
4.16,4.57,-4.11,1,5,0, 343.161, 6
|  |
36469171
#21
| AK Scientific: Y4819
Capot Chemical: 11492
FineTech: FT-0603897
Lab Seeker Building Blocks: SC-32188
StruChem BB make-on-demand: SC-32188...7 total
ref: mol2,
SDF,
SMILES,
flexibase
3.34,7.26,-12.51,1,5,0, 277.32, 7
Similar to: 2169463, 1613196,
|  |
37039336
#22
| Capot Chemical: 12255
FineTech: FT-0604293
Tractus: TRA0140422
Enamine BB Make on Demand: BBV-14855358
UORSY BB Make-on-demand: BBV-14855358...5 total
ref: mol2,
SDF,
SMILES,
flexibase
0.03,3.82,-106.92,4,5,2, 231.34, 6
mid: mol2,
SDF,
SMILES,
flexibase
0.03,1.62,-47.56,3,5,1, 230.332, 6
Similar to: 2525356, 394416,
|  |
4234692
#23
| ACB Blocks: APY-0156
AK Scientific: Z6594
AKOS: AKOS001476464
Ark Pharm Building Blocks: AK-83705
Capot Chemical: 12124...22 total
ref: mol2,
SDF,
SMILES,
flexibase
2.36,4.01,-6.57,3,3,0, 238.088, 1
ref: mol2,
SDF,
SMILES,
flexibase
2.36,4.17,-8.02,3,3,0, 238.088, 1
lo: mol2,
SDF,
SMILES,
flexibase
2.36,4.16,-26.37,4,3,1, 239.096, 1
Similar to: 34975908, 3676762,
|  |
75629714
#24
| ChemMol: 81405606
Capot Chemical: 11680
FineTech: FT-0604003
Debye Scientific BB (Depleted): DB-069475
PubChem: 53420256...8 total
ref: mol2,
SDF,
SMILES,
flexibase
4.32,6.23,-0.84,1,1,0, 196.334, 3
|  |
75629713
#25
| ChemMol: 81409060
Capot Chemical: 11634
Chembo Pharma: KB-216267
PubChem: 12462896
ref: mol2,
SDF,
SMILES,
flexibase
1.62,3.48,-50.25,2,6,-1, 261.257, 3
|  |
75629712
#26
| ChemMol: 81409060
Capot Chemical: 11634
Chembo Pharma: KB-216267
PubChem: 12462896
ref: mol2,
SDF,
SMILES,
flexibase
1.62,3.13,-46.31,2,6,-1, 261.257, 3
|  |
75629711
#27
| ChemMol: 81409060
Capot Chemical: 11634
Chembo Pharma: KB-216267
PubChem: 12462896
ref: mol2,
SDF,
SMILES,
flexibase
1.62,3.02,-46.27,2,6,-1, 261.257, 3
|  |
75629710
#28
| ChemMol: 81409060
Capot Chemical: 11634
Chembo Pharma: KB-216267
PubChem: 12462896
ref: mol2,
SDF,
SMILES,
flexibase
1.62,3.36,-48.03,2,6,-1, 261.257, 3
|  |
75629709
#29
| ChemMol: 81409061
Capot Chemical: 11633
PubChem: 12462897
ref: mol2,
SDF,
SMILES,
flexibase
1.66,4.47,-50.65,2,6,-1, 274.3, 3
lo: mol2,
SDF,
SMILES,
flexibase
1.66,5.34,-59.33,3,6,0, 275.308, 3
|  |
75629708
#30
| ChemMol: 81409061
Capot Chemical: 11633
PubChem: 12462897
ref: mol2,
SDF,
SMILES,
flexibase
1.66,4.22,-47.21,2,6,-1, 274.3, 3
lo: mol2,
SDF,
SMILES,
flexibase
1.66,5.01,-67.25,3,6,0, 275.308, 3
|  |
75629707
#31
| ChemMol: 81409061
Capot Chemical: 11633
PubChem: 12462897
ref: mol2,
SDF,
SMILES,
flexibase
1.66,4.1,-47.16,2,6,-1, 274.3, 3
lo: mol2,
SDF,
SMILES,
flexibase
1.66,4.89,-67.37,3,6,0, 275.308, 3
|  |
75629706
#32
| ChemMol: 81409061
Capot Chemical: 11633
PubChem: 12462897
ref: mol2,
SDF,
SMILES,
flexibase
1.66,4.45,-48.37,2,6,-1, 274.3, 3
lo: mol2,
SDF,
SMILES,
flexibase
1.66,5.25,-56.04,3,6,0, 275.308, 3
|  |
38857208
#33
| Capot Chemical: 10795
SureChEMBL: SCHEMBL10333053
ref: mol2,
SDF,
SMILES,
flexibase
2.10,4.64,-45.83,0,1,-1, 151.21, 1
|  |
34551047
#34
| Ark Pharm Building Blocks: AK-60161
Capot Chemical: 10334
ref: mol2,
SDF,
SMILES,
flexibase
3.21,10.43,-47.61,1,3,1, 286.326, 3
mid: mol2,
SDF,
SMILES,
flexibase
3.21,8.56,-8.16,0,3,0, 285.318, 3
Similar to: 34679621, 34679622, 32220464, 3160253, 3160254, ... 9 in total.
|  |
38289185
#35
| Capot Chemical: 10156
Chembo Pharma: KB-220128, KB-279398
ref: mol2,
SDF,
SMILES,
flexibase
4.60,14.83,-44.87,1,5,1, 382.48, 10
hi: mol2,
SDF,
SMILES,
flexibase
4.60,12.13,-8.14,0,5,0, 381.472, 10
Similar to: 57571266, 1748837,
|  |
75629705
#36
| Capot Chemical: 11546
Combi-Blocks: QB-7859
FineTech: FT-0603928
Ryan Scientific BB: 077-56023
PubChem: 13919082...5 total
ref: mol2,
SDF,
SMILES,
flexibase
3.82,4.86,-7.6,1,4,0, 249.738, 6
|  |
75629704
#37
| Capot Chemical: 4575
PubChem: 57383493
ref: mol2,
SDF,
SMILES,
flexibase
3.63,9.7,-8.52,2,3,0, 358.161, 2
|  |
21982371
#38
| Capot Chemical: 9150
Chembo Pharma: KB-202444
Debye Scientific BB (Depleted): DB-058370
ref: mol2,
SDF,
SMILES,
flexibase
2.25,4.4,-33.85,1,7,-1, 249.202, 4
lo: mol2,
SDF,
SMILES,
flexibase
2.25,3.66,-17.31,2,7,0, 250.21, 4
Similar to: 34522710, 38273364,
|  |
35567329
#39
| Capot Chemical: 10592
AKOS BB (make-on-demand): AKOS015967604
PubChem: 57383503
SureChEMBL: SCHEMBL14887958
ref: mol2,
SDF,
SMILES,
flexibase
3.22,6.7,-5.36,1,3,0, 296.292, 4
|  |
75629703
#40
| Capot Chemical: 10757
PubChem: 54504735
SureChEMBL: SCHEMBL14410896
ref: mol2,
SDF,
SMILES,
flexibase
-1.35,-6.02,-6.89,3,4,0, 150.174, 5
|  |
21981955
#41
| Anward: ANW-44172
Apollo Scientific: PC51123
Ark Pharm Building Blocks: AK-88866
BePharm Building Blocks: B228573
Capot Chemical: 6320...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.53,0.83,-31.24,2,2,1, 128.126, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.53,0.36,-9.17,1,2,0, 127.118, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.53,1.61,-19.62,1,2,0, 127.118, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.53,1.14,-36.77,0,2,-1, 126.11, 0
Similar to: 39050833,
|  |
21981922
#42
| Adesis: 2-895
AK Scientific: V8962
Aldrich CPR: ADE000745|ALDRICH
Ark Pharm Building Blocks: AK126258
Capot Chemical: 6141...13 total
ref: mol2,
SDF,
SMILES,
flexibase
1.88,2.12,-24.52,1,2,0, 143.573, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.88,1.02,-5.22,1,2,0, 143.573, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.88,1.68,-39.42,0,2,-1, 142.565, 0
Similar to: 39316979,
|  |
75629702
#43
| Capot Chemical: 6375
PubChem: 53429891
Enamine BB Make on Demand: BBV-40383713
UORSY BB Make-on-demand: BBV-40383713
ref: mol2,
SDF,
SMILES,
flexibase
2.22,4.2,-38.77,3,4,1, 232.307, 2
hi: mol2,
SDF,
SMILES,
flexibase
2.22,2.76,-6.69,2,4,0, 231.299, 2
lo: mol2,
SDF,
SMILES,
flexibase
2.22,4.19,-39.82,3,4,1, 232.307, 2
|  |
75629701
#44
| Capot Chemical: 6375
PubChem: 53429891
Enamine BB Make on Demand: BBV-40383713
UORSY BB Make-on-demand: BBV-40383713
ref: mol2,
SDF,
SMILES,
flexibase
2.22,4.2,-38.75,3,4,1, 232.307, 2
hi: mol2,
SDF,
SMILES,
flexibase
2.22,3.13,-6.87,2,4,0, 231.299, 2
lo: mol2,
SDF,
SMILES,
flexibase
2.22,4.19,-39.79,3,4,1, 232.307, 2
|  |
75629700
#45
| Capot Chemical: 6361
PubChem: 60146134
ref: mol2,
SDF,
SMILES,
flexibase
5.27,9.61,-3.16,0,1,0, 308.263, 0
mid: mol2,
SDF,
SMILES,
flexibase
5.27,10.52,-32.45,1,1,1, 309.271, 0
|  |
21981914
#46
| Anward: ANW-56035
Ark Pharm Building Blocks: AK-29819
BePharm Building Blocks: B42517
Capot Chemical: 6116
ChemFuture PharmTech: CFP0638...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.40,1.98,-17.78,1,2,0, 208.442, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.40,0.76,-7.54,1,2,0, 208.442, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.40,1.55,-32.09,0,2,-1, 207.434, 0
|  |
21981888
#47
| Anward: ANW-49577
Ark Pharm Building Blocks: AK-47612
BePharm Building Blocks: B71578
Capot Chemical: 5771
Fluorochem: 078980...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.40,1.97,-17.33,1,2,0, 208.442, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.40,0.72,-7.53,1,2,0, 208.442, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.40,1.51,-32.02,0,2,-1, 207.434, 0
|  |
8649837
#48
| Capot Chemical: 5520
Chembo Pharma: KB-225926
NCI Plated 2007: 114048
Alfa Chemistry (Depleted): ACM500359115
Debye Scientific BB (Depleted): DB-071090...5 total
ref: mol2,
SDF,
SMILES,
flexibase
0.20,-0.75,-28.27,2,6,0, 156.097, 1
mid: mol2,
SDF,
SMILES,
flexibase
0.20,0.03,-40.38,1,6,-1, 155.089, 1
|  |
21981780
#49
| Anward: ANW-16203
Ark Pharm Building Blocks: AK-39820
BePharm Building Blocks: B65420
Capot Chemical: 5406
Fluorochem: 092862...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.27,1.88,-17.87,1,2,0, 163.991, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.27,0.65,-7.55,1,2,0, 163.991, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.27,1.45,-31.81,0,2,-1, 162.983, 0
Similar to: 34354372,
|  |
23529018
#50
| Anward: ANW-57882
Apexmol Building Blocks: AM802853
Ark Pharm Building Blocks: AK-30229
BePharm Building Blocks: B40178
Capot Chemical: 8302...9 total
ref: mol2,
SDF,
SMILES,
flexibase
0.57,5.75,-29.89,3,3,1, 174.227, 1
mid: mol2,
SDF,
SMILES,
flexibase
0.57,5.32,-8.82,2,3,0, 173.219, 1
Similar to: 39292798, 39642342,
|  |
23529032
#51
| Anward: ANW-57886
Ark Pharm Building Blocks: AK-29937
BePharm Building Blocks: B32881
Capot Chemical: 8281
Zylexa Pharma BB: ZP-BB-AL006551...5 total
ref: mol2,
SDF,
SMILES,
flexibase
0.87,6.06,-30.59,3,3,1, 192.217, 1
mid: mol2,
SDF,
SMILES,
flexibase
0.87,5.62,-10.03,2,3,0, 191.209, 1
|  |
19230172
#52
| Acorn PharmaTech: ACN-S003664
Acros Organics: 43789
AK Scientific: V0614, W3991, N109
Alfa-Aesar: L19690
American Custom Chemicals Corp.: CCH0000073...49 total
ref: mol2,
SDF,
SMILES,
flexibase
0.74,4.53,-31.92,3,2,1, 177.271, 2
mid: mol2,
SDF,
SMILES,
flexibase
0.74,2.39,-44,3,2,1, 177.271, 2
lo: mol2,
SDF,
SMILES,
flexibase
0.74,4.82,-117.51,4,2,2, 178.279, 2
Similar to: 23361495, 23361502,
|  |
22114326
#53
| ChemMol: 44029209, 1032192
AK Scientific: W4012
AKOS: AKOS015850201
Anward: ANW-50711
Ark Pharm Building Blocks: AK-24386...31 total
ref: mol2,
SDF,
SMILES,
flexibase
2.03,3.79,-13.55,1,4,0, 280.456, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.03,3.33,-30.88,0,4,-1, 279.448, 0
mid: mol2,
SDF,
SMILES,
flexibase
2.03,3.88,-9.54,1,4,0, 280.456, 0
|  |
75629699
#54
| Ark Pharm Building Blocks: AK-60114
BOC Sciences BB: 159878-01-0
Capot Chemical: 11516
FineTech: FT-0603912
Tetrahedron Building Blocks: TS66549...11 total
ref: mol2,
SDF,
SMILES,
flexibase
5.16,9.94,-13.37,1,4,0, 363.866, 9
|  |
34327866
#55
| AK Scientific: W6530
Anward: ANW-30852
Apexmol Building Blocks: AM20100217
Ark Pharm Building Blocks: AK-26032
BePharm Building Blocks: B21024...21 total
ref: mol2,
SDF,
SMILES,
flexibase
0.94,0.26,-31.84,0,3,-1, 129.526, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.94,-0.51,-6.34,1,3,0, 130.534, 0
Similar to: 21298676,
|  |
15443016
#56
| Capot Chemical: 9265
Chembo Pharma: KB-47322
Fluorochem (Depleted): 033855
PubChem: 26597296
ref: mol2,
SDF,
SMILES,
flexibase
-3.17,0.48,-42.43,3,5,0, 155.157, 2
mid: mol2,
SDF,
SMILES,
flexibase
-3.17,0.99,-72.35,4,5,1, 156.165, 2
mid: mol2,
SDF,
SMILES,
flexibase
-3.17,1.71,-33.65,3,5,0, 155.157, 2
hi: mol2,
SDF,
SMILES,
flexibase
-3.17,1.1,-50.1,2,5,-1, 154.149, 2
Similar to: 15443017,
|  |
15443017
#57
| Capot Chemical: 9265
Chembo Pharma: KB-47322
Fluorochem (Depleted): 033855
PubChem: 26597298
ref: mol2,
SDF,
SMILES,
flexibase
-3.17,0.49,-41.87,3,5,0, 155.157, 2
mid: mol2,
SDF,
SMILES,
flexibase
-3.17,0.99,-71.98,4,5,1, 156.165, 2
mid: mol2,
SDF,
SMILES,
flexibase
-3.17,1.73,-37.56,3,5,0, 155.157, 2
hi: mol2,
SDF,
SMILES,
flexibase
-3.17,1.13,-48.42,2,5,-1, 154.149, 2
Similar to: 15443016,
|  |
39275686
#58
| Capot Chemical: 6857
Tetrahedron Building Blocks: TS15010
PubChem: 12732821
SureChEMBL: SCHEMBL5404182, SCHEMBL1307730, SCHEMBL2964435
ref: mol2,
SDF,
SMILES,
flexibase
2.63,4.78,-7.06,1,2,0, 182.244, 3
hi: mol2,
SDF,
SMILES,
flexibase
2.63,5.79,-49.38,0,2,-1, 181.236, 3
Similar to: 6458268,
|  |
71241962
#59
| AK Scientific: 7309AB
Anward: ANW-58582
Ark Pharm Building Blocks: AK-80051
BePharm Building Blocks: B33912
Capot Chemical: 5384...12 total
|  |
34333791
#60
| BOC Sciences BB: 14572-93-1
Capot Chemical: 3168
Chembo Pharma: KB-237596
Tetrahedron Building Blocks: TS62845
PubChem: 67936099...11 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.03,-1.57,-4.67,5,3,0, 152.197, 2
Similar to: 406951, 4013051,
|  |
38338210
#61
| ACT Chemical BB: ACT04867
AK Scientific: I079
American Custom Chemicals Corp.: CCH0001241
Anward: ANW-57732
APIChem: AC-24293...27 total
ref: mol2,
SDF,
SMILES,
flexibase
0.50,-1.15,-38.42,2,2,0, 126.203, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.50,0.67,-34.07,3,2,1, 127.211, 0
lo: mol2,
SDF,
SMILES,
flexibase
0.50,2,-108.74,4,2,2, 128.219, 0
Similar to: 39343584, 39343585,
|  |
21981788
#62
| AK Scientific: X3368
Anward: ANW-27806
Ark Pharm Building Blocks: AK-51288
BePharm Building Blocks: B102622
Capot Chemical: 5415...19 total
ref: mol2,
SDF,
SMILES,
flexibase
1.05,-1.02,-18.68,2,3,0, 189.996, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.05,-0.07,-54.23,1,3,-1, 188.988, 0
|  |
21981948
#63
| Anward: ANW-44939
APIChem: AC-5074
Ark Pharm Building Blocks: AK-34063
BePharm Building Blocks: B19325
Capot Chemical: 6262...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.76,1.46,-18.29,1,2,0, 147.536, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.76,0.19,-8.29,1,2,0, 147.536, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.76,0.67,-34.49,2,2,1, 148.544, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.76,0.99,-31.13,0,2,-1, 146.528, 0
|  |
21981944
#64
| Capot Chemical: 6247
Zylexa Pharma BB: ZP-BB-AL004544
ref: mol2,
SDF,
SMILES,
flexibase
1.89,1.57,-18.22,1,2,0, 191.987, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.89,0.3,-8.25,1,2,0, 191.987, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.89,1.1,-31.41,0,2,-1, 190.979, 0
lo: mol2,
SDF,
SMILES,
flexibase
1.89,0.86,-33.74,2,2,1, 192.995, 0
|  |
75629698
#65
| Capot Chemical: 5651
PubChem: 44754807
Enamine BB Make on Demand: BBV-49269683
ref: mol2,
SDF,
SMILES,
flexibase
1.96,6.58,-8.28,2,6,0, 266.297, 6
|  |
8672849
#66
| ChemMol: 1033035, 44001262, 97806656, 30109221, 51500818
eMolecules: 3718352, 23959134
Molport: MolPort-021-783-156, MolPort-005-312-388, MolPort-000-000-762
AK Scientific: U213, I185
Aldrich CPR: CDS004728|ALDRICH...96 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.40,0.06,-19.16,3,3,0, 110.116, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.06,-1.85,-31.08,4,3,1, 111.124, 0
|  |
72228936
#67
| ChemMol: 97600093
Capot Chemical: 11504
ChiralBlock BioScience BB: 309
FineTech: FT-0603904
AKOS BB (make-on-demand): AKOS015909176...7 total
ref: mol2,
SDF,
SMILES,
flexibase
0.24,3.92,-38.54,3,2,1, 187.332, 3
hi: mol2,
SDF,
SMILES,
flexibase
0.24,3.6,-7.61,2,2,0, 186.324, 3
|  |
72228934
#68
| ChemMol: 97600092
Capot Chemical: 11503
ChiralBlock BioScience BB: 308
FineTech: FT-0603903
AKOS BB (make-on-demand): AKOS015909141...7 total
ref: mol2,
SDF,
SMILES,
flexibase
0.92,6.33,-38.93,3,2,1, 235.376, 4
mid: mol2,
SDF,
SMILES,
flexibase
0.92,6.03,-8.25,2,2,0, 234.368, 4
|  |
13529572
#69
| ChemMol: 97600091
Capot Chemical: 11501
ChiralBlock BioScience BB: 307
BindingDB.org: 50118934
ChEMBL12: CHEMBL318401...10 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.57,2.1,-43.12,3,2,1, 177.318, 2
|  |
72228932
#70
| ChemMol: 97600090
Capot Chemical: 11500
ChiralBlock BioScience BB: 306
FineTech: FT-0603900
AKOS BB (make-on-demand): AKOS015909178...7 total
ref: mol2,
SDF,
SMILES,
flexibase
0.21,3.52,-41.39,3,2,1, 205.372, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.21,3.27,-4.82,2,2,0, 204.364, 3
|  |
1731932
#71
| Capot Chemical: 11515
ChemDB: 3964872
PubChem: 36691077, 36691076, 1640, 24198204, 9881138
SureChEMBL: SCHEMBL996112, SCHEMBL4981923
ref: mol2,
SDF,
SMILES,
flexibase
0.76,-1.31,-46.33,3,2,1, 198.673, 4
Similar to: 2504633,
|  |
4962813
#72
| Capot Chemical: 11652
ChemDB: 5112016
PubChem: 267175
ref: mol2,
SDF,
SMILES,
flexibase
1.81,-0.19,-47.21,1,4,-1, 230.243, 2
|  |
5497432
#73
| Capot Chemical: 11652
ChemDB: 5112016
PubChem: 267175
ref: mol2,
SDF,
SMILES,
flexibase
1.81,-0.25,-48.11,1,4,-1, 230.243, 2
|  |
72228925
#74
| ChemMol: 97600075
Capot Chemical: 10339
ChiralBlock BioScience BB: 289
PubChem: 56972103
SureChEMBL: SCHEMBL15195793...5 total
ref: mol2,
SDF,
SMILES,
flexibase
5.60,9.25,-15.04,1,11,0, 465.532, 11
|  |
59080597
#75
| Capot Chemical: 12334
PubChem: 54054040, 20098249, 57383535
SureChEMBL: SCHEMBL7302544
ref: mol2,
SDF,
SMILES,
flexibase
-0.10,3.79,-47.04,3,5,1, 229.3, 4
mid: mol2,
SDF,
SMILES,
flexibase
-0.10,3.39,-12.99,2,5,0, 228.292, 4
Similar to: 22047778,
|  |
19735209
#76
| ChemMol: 97805780, 44021387
Molport: MolPort-023-219-565
Scientific Exchange Building Blocks: F-396915
AK Scientific: 0758AC
AKOS: AKOS000300793...59 total
ref: mol2,
SDF,
SMILES,
flexibase
1.60,4.44,-37.99,2,2,1, 191.298, 2
hi: mol2,
SDF,
SMILES,
flexibase
1.60,3.08,-2.16,1,2,0, 190.29, 2
Similar to: 21788116, 32108369, 32108370, 32116166, 32116167, ... 7 in total.
|  |
72228923
#77
| ChemMol: 97600072
BOC Sciences BB: 260782-41-0
Capot Chemical: 10342
ChiralBlock BioScience BB: 283
PubChem: 56972104...5 total
ref: mol2,
SDF,
SMILES,
flexibase
3.16,8.61,-12.46,0,9,0, 377.426, 5
|  |
2151
#78
| ChemMol: 30101273, 80101504
eMolecules: 532231
Scientific Exchange (make on demand): F-446332
Acros Organics: 25882
AK Scientific: Q815...205 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.95,2.75,-11.27,1,6,0, 180.167, 0
|  |
4102185
#79
| ChemMol: 2101362
Molport: MolPort-015-163-859
Capot Chemical: 5913
Focus Synthesis BB: FS200002
MedChem Express: HY-B1064...43 total
ref: mol2,
SDF,
SMILES,
flexibase
1.40,-6.46,-145.46,4,10,-1, 503.962, 9
Similar to: 4536296, 4536300, 4536308, 4536310, 5809136, ... 16 in total.
|  |
34045522
#80
| Capot Chemical: 9957
BindingDB.org: 50014534
PubChem: 57383494, 14474436
SureChEMBL: SCHEMBL2123347
The Broad via PubChem: BRD-A07195938-001-01-3...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.52,10.17,-38.7,1,4,1, 296.394, 2
mid: mol2,
SDF,
SMILES,
flexibase
1.52,9.69,-12.21,0,4,0, 295.386, 2
|  |
34045521
#81
| Capot Chemical: 9957
BindingDB.org: 50014534
PubChem: 57383494, 14474436
SureChEMBL: SCHEMBL2123347
The Broad via PubChem: BRD-A07195938-001-01-3...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.52,10.4,-32.85,1,4,1, 296.394, 2
mid: mol2,
SDF,
SMILES,
flexibase
1.52,9.92,-13.32,0,4,0, 295.386, 2
|  |
34045520
#82
| Capot Chemical: 9957
BindingDB.org: 50014534
PubChem: 57383494, 14474436
SureChEMBL: SCHEMBL2123347
The Broad via PubChem: BRD-A07195938-001-01-3...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.52,10.24,-37.79,1,4,1, 296.394, 2
mid: mol2,
SDF,
SMILES,
flexibase
1.52,9.77,-16.49,0,4,0, 295.386, 2
|  |
34045519
#83
| Capot Chemical: 9957
BindingDB.org: 50014534
Individual Suppliers: UNNAMED00000628
PubChem: 57383494, 14474436
SureChEMBL: SCHEMBL2123347...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.52,10.29,-34.63,1,4,1, 296.394, 2
|  |
40448428
#84
| ChemMol: 44029028
AK Scientific: Z1828
Anward: ANW-57837
Ark Pharm Building Blocks: AK-34942
Aromalake BB: LS00035...20 total
ref: mol2,
SDF,
SMILES,
flexibase
1.84,4.5,-40.62,0,3,-1, 205.111, 2
|  |
1689144
#85
| BOC Sciences BB: 281-33-4
Capot Chemical: 8728
NCI Plated 2007: 58580
ChemDB: 4906070
PubChem: 136108...6 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.04,2.83,-4.85,0,3,0, 160.109, 0
|  |
23477241
#86
| Capot Chemical: 8813, 17772
Alfa Chemistry (Depleted): ACM28996078
PubChem: 55251151
ref: mol2,
SDF,
SMILES,
flexibase
1.06,1.38,-128.29,6,2,2, 168.284, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.06,1.14,-40.29,5,2,1, 167.276, 0
|  |
22859823
#87
| Capot Chemical: 8813, 17772
Alfa Chemistry (Depleted): ACM28996078
ChemDB: 4910527
PubChem: 70520609, 431837, 20319743, 55251151
SureChEMBL: SCHEMBL870113...12 total
ref: mol2,
SDF,
SMILES,
flexibase
1.06,1.38,-128.3,6,2,2, 168.284, 0
|  |
71609678
#88
| Capot Chemical: 8805
Alfa Chemistry (Depleted): ACM19740342
ChemDB: 7556719
PubChem: 140578
SureChEMBL: SCHEMBL737627...6 total
ref: mol2,
SDF,
SMILES,
flexibase
4.25,7.25,0.12,0,0,0, 164.292, 0
|  |
44563892
#89
| Capot Chemical: 12329
PubChem: 57383532
ref: mol2,
SDF,
SMILES,
flexibase
1.46,7.63,-61.25,1,9,-1, 385.437, 9
|  |
44563890
#90
| Capot Chemical: 12326
PubChem: 57383529
ref: mol2,
SDF,
SMILES,
flexibase
1.73,8.27,-66.71,1,9,-1, 399.464, 10
|  |
44563888
#91
| BOC Sciences BB: 158211-50-8
Capot Chemical: 12323
PubChem: 57383527
ref: mol2,
SDF,
SMILES,
flexibase
1.58,9.23,-64.71,1,11,-1, 451.5, 9
lo: mol2,
SDF,
SMILES,
flexibase
1.58,9.69,-80.93,2,11,0, 452.508, 9
|  |
3660022
#92
| Capot Chemical: 12322
PubChem: 70359526, 12085971
SureChEMBL: SCHEMBL10404191
ref: mol2,
SDF,
SMILES,
flexibase
2.07,6.26,-55.23,1,7,-1, 327.401, 7
Similar to: 35900002,
|  |
44563883
#93
| BOC Sciences BB: 141106-60-7
Capot Chemical: 12309
AKOS BB (make-on-demand): AKOS015909882
PubChem: 22883852, 18934487
ref: mol2,
SDF,
SMILES,
flexibase
1.62,5.57,-60.28,1,8,-1, 357.427, 8
|  |
44563881
#94
| Capot Chemical: 12307
PubChem: 57383526
ref: mol2,
SDF,
SMILES,
flexibase
1.98,6.02,-57.26,1,8,-1, 371.454, 8
|  |
44563879
#95
| Capot Chemical: 12303
PubChem: 57383525
ref: mol2,
SDF,
SMILES,
flexibase
3.51,11.89,-65.87,1,10,-1, 500.572, 9
|  |
44563877
#96
| BOC Sciences BB: 289910-65-2
Capot Chemical: 12300
PubChem: 59256422, 57383524
ref: mol2,
SDF,
SMILES,
flexibase
3.50,9.58,-63.37,1,8,-1, 433.525, 9
|  |
19363630
#97
| ChemMol: 97800238, 30104960, 1203266, 98000538
eMolecules: 535903
Molport: MolPort-001-000-951, MolPort-016-965-514
Scientific Exchange (make on demand): R-019647
Acorn PharmaTech: ACN-S003156...133 total
ref: mol2,
SDF,
SMILES,
flexibase
3.49,8.09,-41.52,2,2,1, 287.814, 3
hi: mol2,
SDF,
SMILES,
flexibase
3.49,6.76,-2.45,1,2,0, 286.806, 3
Similar to: 31332423, 31332429, 34340667,
|  |
38478313
#98
| ChemMol: 44032868
BOC Sciences BB: 104740-55-8
Capot Chemical: 12274
Chembo Pharma: KB-218690
FineTech: FT-0604310...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.48,3.11,-50.27,3,5,1, 264.349, 5
lo: mol2,
SDF,
SMILES,
flexibase
0.48,5.31,-126.89,4,5,2, 265.357, 5
Similar to: 39320562, 34460852, 5923313, 6475181, 38235264, ... 5 in total.
|  |
36278833
#99
| Capot Chemical: 12269
Chembo Pharma: KB-202668
Chemstep: 71968
FineTech: FT-0604305
PubChem: 13066076...7 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.73,-1.6,-43.35,3,5,1, 188.251, 4
|  |
36278883
#100
| Capot Chemical: 12268
Chembo Pharma: KB-201198
FineTech: FT-0604304
PubChem: 13066077
Enamine BB Make on Demand: BBV-39140251...6 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.13,-0.67,-43.03,3,5,1, 202.278, 5
|  |
Old detail retrieval took 2 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 = 630 ) limit 0,100
