ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
2538042
#1
  
 | Aldrich CPR: CDS016271|ALDRICH
Ark Pharm Building Blocks: AK-38233
Enamine Building Blocks: EN300-155241
Mcule: MCULE-6368012818
Molport BB: MolPort-000-891-358...12 total
ref: mol2,
SDF,
SMILES,
flexibase
1.29,3.65,-7.7,0,3,0, 138.17, 3
|  |
19316086
#2
| ChemMol: 44015117
eMolecules: 853838, 5769476, 44750773
Molport: MolPort-027-716-599, MolPort-000-891-982, MolPort-000-848-264
AKOS: AKOS000104461
Angene Building Blocks: AGN-PC-0JW4H2...64 total
ref: mol2,
SDF,
SMILES,
flexibase
0.38,-1.54,-7.76,3,4,0, 221.304, 3
|  |
26420999
#3
| Molport: MolPort-000-930-358
AK Scientific: 7258AE
AKOS: AKOS003673914
Aldrich CPR: L482706|ALDRICH
Alinda Building Blocks: ALBB-009792...28 total
ref: mol2,
SDF,
SMILES,
flexibase
2.37,3.57,-8,1,3,0, 189.214, 2
Similar to: 32007753, 36157466, 36157470, 36159238, 36159520, ... 14 in total.
|  |
27938
#4
| eMolecules: 2320875
Molport: MolPort-001-608-191
Scientific Exchange (make on demand): M-723996
AKOS: AKOS003355610
ChemBridge: 7984821...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.43,3.69,-10.45,1,6,0, 221.216, 3
ref: mol2,
SDF,
SMILES,
flexibase
0.89,1.09,-8.93,1,6,0, 221.216, 3
|  |
72209456
#5
| eMolecules: 31745529
Molport: MolPort-017-263-946
Mcule: MCULE-8560327242
Molport BB: MolPort-017-263-946
Princeton BioMolecular Research: OSSL_761724...11 total
ref: mol2,
SDF,
SMILES,
flexibase
0.02,0.22,-10.82,2,4,0, 175.138, 3
|  |
13466603
#6
| eMolecules: 29805899
Molport: MolPort-002-909-676
AK Scientific: 4721AC
Alinda Building Blocks: ALBB-028883
Anward: ANW-65371...30 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.56,-0.92,-10.36,2,4,0, 125.131, 1
Similar to: 196524,
|  |
1640823
#7
| eMolecules: 31745715
AKOS: AKOS003582811
Chembo Pharma: KB-224656
Mcule: MCULE-6138311725
Molport BB: MolPort-004-968-998...19 total
ref: mol2,
SDF,
SMILES,
flexibase
1.98,-1.41,-4.19,1,1,0, 142.223, 1
|  |
72209459
#8
| eMolecules: 31745535
Molport: MolPort-017-263-950
Mcule: MCULE-4162316078
Molport BB: MolPort-017-263-950
Princeton BioMolecular Research: OSSL_761739...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.16,5.92,-10.04,1,5,0, 271.246, 2
mid: mol2,
SDF,
SMILES,
flexibase
2.16,6.03,-8.74,1,5,0, 271.246, 2
hi: mol2,
SDF,
SMILES,
flexibase
2.16,5.88,-38.12,0,5,-1, 270.238, 2
|  |
12398478
#9
| eMolecules: 18080642, 31745539
Molport: MolPort-004-798-121
Ark Pharm Building Blocks: AK143685, AK143686
Chemstep: 69259, 47145
Fluorochem: 044598...27 total
ref: mol2,
SDF,
SMILES,
flexibase
0.46,3.8,-6.83,0,5,0, 157.125, 3
ref: mol2,
SDF,
SMILES,
flexibase
0.77,2.42,-37.1,0,5,-1, 156.117, 3
|  |
72209462
#10
| eMolecules: 45907953
Molport: MolPort-017-263-954
Mcule: MCULE-5195370291
Molport BB: MolPort-017-263-954
Princeton BioMolecular Research: OSSL_761748...11 total
ref: mol2,
SDF,
SMILES,
flexibase
1.16,2.24,-7.51,1,4,0, 167.212, 3
|  |
34411984
#11
| ChemMol: 30115650, 96701722, 44025175
eMolecules: 28284364
Molport: MolPort-004-782-400
AK Scientific: W3298
Aldrich CPR: SYX00074|ALDRICH...60 total
ref: mol2,
SDF,
SMILES,
flexibase
1.32,2.77,-6.68,0,2,0, 161.002, 0
|  |
20443702
#12
| eMolecules: 31745561
Enamine Building Blocks: EN300-155271
Mcule: MCULE-8491335694
Molport BB: MolPort-008-421-299
Princeton BioMolecular Research: OSSL_761756...13 total
ref: mol2,
SDF,
SMILES,
flexibase
0.11,3.21,-6.96,0,3,0, 124.143, 1
lo: mol2,
SDF,
SMILES,
flexibase
0.11,3.65,-34.16,1,3,1, 125.151, 1
|  |
20443698
#13
| eMolecules: 31745563
Enamine Building Blocks: EN300-155265
Mcule: MCULE-8342709111
Molport BB: MolPort-008-421-298
Princeton BioMolecular Research: OSSL_761757...12 total
ref: mol2,
SDF,
SMILES,
flexibase
0.11,3.21,-14.89,0,3,0, 124.143, 1
lo: mol2,
SDF,
SMILES,
flexibase
0.11,3.6,-31.52,1,3,1, 125.151, 1
|  |
6855063
#14
| eMolecules: 3801106
Molport: MolPort-019-938-303, MolPort-001-002-687
Scientific Exchange (make on demand): F-367510
AK Scientific: 0782AC
AKOS: AKOS000297163...69 total
ref: mol2,
SDF,
SMILES,
flexibase
0.72,2.42,-28.82,3,3,1, 152.152, 0
ref: mol2,
SDF,
SMILES,
flexibase
0.72,2.42,-28.84,3,3,1, 152.152, 0
ref: mol2,
SDF,
SMILES,
flexibase
1.35,2.24,-6.43,3,3,0, 151.144, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.35,2.33,-32.1,4,3,1, 152.152, 0
mid: mol2,
SDF,
SMILES,
flexibase
1.35,2.17,-7.18,3,3,0, 151.144, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.72,2.28,-9.03,2,3,0, 151.144, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.72,2.28,-9.03,2,3,0, 151.144, 0
hi: mol2,
SDF,
SMILES,
flexibase
0.72,2.33,-37.58,1,3,-1, 150.136, 0
hi: mol2,
SDF,
SMILES,
flexibase
0.72,2.33,-37.56,1,3,-1, 150.136, 0
|  |
72209471
#15
| eMolecules: 31745577
Molport: MolPort-017-263-965
Mcule: MCULE-2079668699
Molport BB: MolPort-017-263-965
Princeton BioMolecular Research: OSSL_761765...11 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.18,0.57,-10.72,1,4,0, 139.158, 1
|  |
57324128
#16
| eMolecules: 45907955
Molport: MolPort-017-263-966
Mcule: MCULE-2507503512
Molport BB: MolPort-017-263-966
Princeton BioMolecular Research: OSSL_761766...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.73,2.41,-10.4,1,4,0, 217.171, 4
|  |
12505832
#17
| eMolecules: 45907957
Molport: MolPort-017-263-968, MolPort-035-394-130, MolPort-005-311-404
American Custom Chemicals Corp.: CHM0103932
Enamine Building Blocks: EN300-28806
Fluorochem: 350827...19 total
ref: mol2,
SDF,
SMILES,
flexibase
0.50,1.32,-7.66,1,4,0, 153.185, 1
ref: mol2,
SDF,
SMILES,
flexibase
0.50,1.14,-9.78,1,4,0, 153.185, 1
|  |
20217902
#18
| eMolecules: 31745252
Mcule: MCULE-7950682084
Molport BB: MolPort-000-899-025
Princeton BioMolecular Research: OSSL_761770
TimTec: ST45255726...14 total
ref: mol2,
SDF,
SMILES,
flexibase
1.11,4.21,-8.9,2,3,0, 173.219, 1
Similar to: 34599242, 36977656, 36978013, 39334932, ... 4 in total.
|  |
72209476
#19
| eMolecules: 31745593
Molport: MolPort-017-263-972
Mcule: MCULE-3123799667
Molport BB: MolPort-017-263-972
Princeton BioMolecular Research: OSSL_761776...12 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.95,-2.28,-9.75,4,5,0, 140.146, 1
|  |
72209480
#20
| eMolecules: 45907961
Molport: MolPort-017-263-977
Mcule: MCULE-6334153569
Molport BB: MolPort-017-263-977
Princeton BioMolecular Research: OSSL_761782...11 total
ref: mol2,
SDF,
SMILES,
flexibase
2.98,2.88,-9.53,1,3,0, 201.172, 4
|  |
72209484
#21
| eMolecules: 31745617
Molport: MolPort-017-263-980
Mcule: MCULE-5741529575
Molport BB: MolPort-017-263-980
Princeton BioMolecular Research: OSSL_761790...10 total
ref: mol2,
SDF,
SMILES,
flexibase
1.38,4.33,-13.06,0,4,0, 208.139, 4
|  |
72209485
#22
| eMolecules: 31745619
Molport: MolPort-017-263-981
Alinda Building Blocks: ALBB-026397
ChemDiv BuildingBlocks: BB57-7219
Fluorochem: 375506...15 total
ref: mol2,
SDF,
SMILES,
flexibase
1.54,3.4,-6.48,1,4,0, 190.149, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.54,3.38,-8.02,1,4,0, 190.149, 4
|  |
19090102
#23
| eMolecules: 5414279
Aldrich CPR: CBR01381|ALDRICH
Ark Pharm Building Blocks: AK-94929
ChemBridge BuildingBlocks: 4014354
Fluorochem: 309391...20 total
ref: mol2,
SDF,
SMILES,
flexibase
0.75,2.62,-6.27,2,3,0, 125.175, 1
|  |
2537237
#24
| eMolecules: 31641375, 46468807
Mcule: MCULE-5461459345
Molport BB: MolPort-000-890-595
Princeton BioMolecular Research: OSSL_761798, OSSL_761797
TimTec: ST45255752...19 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.39,-0.85,-8.7,3,5,0, 168.2, 2
|  |
34925187
#25
| eMolecules: 31745629
Molport: MolPort-017-263-988
AK Scientific: Z9364
Combi-Blocks: QB-2996
Fluorochem: 387514...16 total
ref: mol2,
SDF,
SMILES,
flexibase
0.51,-1.27,-9.21,3,4,0, 179.101, 2
mid: mol2,
SDF,
SMILES,
flexibase
0.51,-1.3,-6.62,3,4,0, 179.101, 2
hi: mol2,
SDF,
SMILES,
flexibase
0.51,-1.46,-31.11,2,4,-1, 178.093, 2
|  |
72209489
#26
| Molport: MolPort-017-263-989
Mcule: MCULE-8949861329
Molport BB: MolPort-017-263-989
Zelinsky Institute: UZI/0200201
Zelinsky Institute Building Blocks: B047161...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.58,-0.16,-7.34,2,4,0, 193.128, 2
|  |
72209490
#27
| eMolecules: 31745635
Molport: MolPort-017-263-990
Mcule: MCULE-8346463915
Molport BB: MolPort-017-263-990
Princeton BioMolecular Research: OSSL_761803...11 total
ref: mol2,
SDF,
SMILES,
flexibase
0.00,-0.8,-10.98,2,4,0, 161.111, 2
|  |
2537323
#28
| eMolecules: 31641527
Mcule: MCULE-1846033674
Molport BB: MolPort-000-890-673
Princeton BioMolecular Research: OSSL_761806
TimTec: ST45255760...14 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.02,0.02,-8.65,3,5,0, 182.227, 3
|  |
20578751
#29
| eMolecules: 3792503
Ark Pharm Building Blocks: AK125354
ChemBridge BuildingBlocks: 4035128
Fluorochem: 035890
Mcule: MCULE-8485238773...18 total
ref: mol2,
SDF,
SMILES,
flexibase
1.11,3.34,-7.56,2,3,0, 139.202, 1
mid: mol2,
SDF,
SMILES,
flexibase
1.11,3.47,-27.72,3,3,1, 140.21, 1
|  |
72209498
#30
| eMolecules: 45907963
Molport: MolPort-017-263-997
Mcule: MCULE-4296420537
Molport BB: MolPort-017-263-997
Princeton BioMolecular Research: OSSL_761816...11 total
ref: mol2,
SDF,
SMILES,
flexibase
2.57,2.78,-12,1,4,0, 231.198, 5
|  |
72209499
#31
| eMolecules: 31745659
Molport: MolPort-017-263-998
Mcule: MCULE-8407856451
Molport BB: MolPort-017-263-998
Princeton BioMolecular Research: OSSL_761819...11 total
ref: mol2,
SDF,
SMILES,
flexibase
1.63,4.59,-10.46,0,4,0, 224.594, 4
|  |
72190653
#32
| eMolecules: 31745661
Molport: MolPort-017-263-999
Acorn PharmaTech: ACN-P001146
Mcule: MCULE-8579733688
Molport BB: MolPort-017-263-999...12 total
ref: mol2,
SDF,
SMILES,
flexibase
1.39,4.06,-9.61,0,4,0, 190.149, 4
|  |
72209500
#33
| eMolecules: 31745663
Molport: MolPort-017-264-000
Mcule: MCULE-5408933283
Molport BB: MolPort-017-264-000
Princeton BioMolecular Research: OSSL_761821...12 total
ref: mol2,
SDF,
SMILES,
flexibase
0.00,-0.77,-9.9,2,4,0, 161.111, 2
|  |
72209442
#34
| eMolecules: 31745509
Molport: MolPort-017-264-004
Mcule: MCULE-9282711188
Molport BB: MolPort-017-264-004
TimTec: ST45255780...10 total
ref: mol2,
SDF,
SMILES,
flexibase
0.94,2.53,-7.75,0,3,0, 143.096, 1
|  |
57324273
#35
| eMolecules: 45907965
Molport: MolPort-017-264-005
Mcule: MCULE-4854532796
Molport BB: MolPort-017-264-005
Princeton BioMolecular Research: OSSL_761827...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.52,2.45,-8.36,1,3,0, 201.172, 3
|  |
37756073
#36
| eMolecules: 45907967
Molport: MolPort-014-468-385
Mcule: MCULE-5277292973
Molport BB: MolPort-014-468-385
Princeton BioMolecular Research: OSSL_761830...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.12,3.3,-13.9,1,4,0, 245.225, 5
|  |
37756077
#37
| eMolecules: 45907969
Molport: MolPort-014-468-389
Mcule: MCULE-4326786551
Molport BB: MolPort-014-468-389
Princeton BioMolecular Research: OSSL_761831...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.03,4.12,-9.56,1,3,0, 229.226, 5
|  |
72209517
#38
| eMolecules: 45907971
Molport: MolPort-017-264-007
Mcule: MCULE-1305408944
Molport BB: MolPort-017-264-007
Princeton BioMolecular Research: OSSL_761834...11 total
ref: mol2,
SDF,
SMILES,
flexibase
0.70,1.46,-9.49,1,4,0, 189.165, 2
hi: mol2,
SDF,
SMILES,
flexibase
0.70,2.47,-48.32,0,4,-1, 188.157, 2
hi: mol2,
SDF,
SMILES,
flexibase
0.70,2.61,-48.6,0,4,-1, 188.157, 2
|  |
1049738
#39
| eMolecules: 720829
Scientific Exchange (make on demand): POD_21/0154
Acros Organics: CD08995
AKOS: AKOS000268742
Alfa-Aesar: B20417...54 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.98,2.33,-10.49,2,4,0, 112.136, 0
|  |
36613090
#40
| eMolecules: 17073373
Mcule: MCULE-6218375882
Princeton BioMolecular Research: OSSL_761933
Zelinsky Institute: UZI/0200421
PubChem: 44821229...6 total
ref: mol2,
SDF,
SMILES,
flexibase
4.00,8.94,-8.65,0,3,0, 323.314, 3
|  |
4343043
#41
| eMolecules: 2280621
Molport: MolPort-002-103-051
AKOS: AKOS000574567
Asinex: BAS24803852
BioBlocks: A3907/0166130...21 total
ref: mol2,
SDF,
SMILES,
flexibase
1.47,-0.06,-8.85,0,7,0, 329.154, 5
|  |
34582254
#42
| eMolecules: 31600751
Molport: MolPort-016-631-535
Ark Pharm Building Blocks: AK125778
ChemBridge BuildingBlocks: 4041101
Fluorochem: 063030...17 total
ref: mol2,
SDF,
SMILES,
flexibase
0.85,3.42,-12.47,0,3,0, 122.127, 1
|  |
36108798
#43
| eMolecules: 30070621
Molport: MolPort-008-821-500
Ark Pharm Building Blocks: AK125692
ChemBridge BuildingBlocks: 4040416
Enamine Building Blocks: EN300-76987...21 total
ref: mol2,
SDF,
SMILES,
flexibase
0.85,3.38,-13.42,0,3,0, 122.127, 1
Similar to: 39260093, 39291325,
|  |
35655629
#44
| Mcule: MCULE-7976639033
Molport BB: MolPort-006-389-174
TimTec: ST45054997
TimTec Building Blocks: SBB026929
Zelinsky Institute: UZI/0200492...7 total
ref: mol2,
SDF,
SMILES,
flexibase
0.97,4.76,-8.95,1,6,0, 235.243, 4
hi: mol2,
SDF,
SMILES,
flexibase
1.43,2.59,-42.11,0,6,-1, 234.235, 4
|  |
35655632
#45
| Mcule: MCULE-8410524565
Molport BB: MolPort-006-389-178
TimTec Building Blocks: SBB026939
Zelinsky Institute: UZI/0200495
Zelinsky Institute Building Blocks: B038950...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.46,6.29,-12.45,0,5,0, 219.244, 4
|  |
35655636
#46
| Molport BB: MolPort-006-389-182
Zelinsky Institute: UZI/0200498
Zelinsky Institute Building Blocks: B038981
PubChem: 45602125
ref: mol2,
SDF,
SMILES,
flexibase
2.64,6.31,-6.48,0,3,0, 306.181, 5
|  |
31775989
#47
| eMolecules: 10354760
Scientific Exchange Building Blocks: F-399610
Enamine Building Blocks: EN300-69709
IBScreen: STOCK6S-81396
IBScreen BuildingBlocks: BB_SC-06384...21 total
ref: mol2,
SDF,
SMILES,
flexibase
0.67,4.21,-10.68,0,4,0, 175.191, 1
|  |
35655639
#48
| Mcule: MCULE-3885549386
Molport BB: MolPort-006-389-187
TimTec: ST45055007
TimTec Building Blocks: SBB026949
Zelinsky Institute: UZI/0200502...7 total
ref: mol2,
SDF,
SMILES,
flexibase
0.69,2.35,-26.85,0,6,0, 247.272, 6
|  |
35655642
#49
| Chemstep: 69699
Mcule: MCULE-2568269054
Molport BB: MolPort-004-798-395
TimTec: ST45055009
TimTec Building Blocks: SBB026953...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.09,1.32,-9.76,1,4,0, 164.164, 0
|  |
19268470
#50
| Alinda Building Blocks: ALBB-021623
ChemDiv BuildingBlocks: BB57-3123
Fluorochem: 372446
Mcule: MCULE-3340818040
Molport BB: MolPort-004-313-735...14 total
ref: mol2,
SDF,
SMILES,
flexibase
3.32,6.15,-5.5,2,2,0, 233.698, 3
Similar to: 21800193, 21815807, 32103413, 32103415, 32103418, ... 15 in total.
|  |
77202
#51
| ChemMol: 1035988, 44029262, 96701033
eMolecules: 508750
Molport: MolPort-000-004-473
Scientific Exchange (make on demand): F-183182
AKOS: AKOS000128441...87 total
ref: mol2,
SDF,
SMILES,
flexibase
0.35,4.75,-7.23,2,3,0, 159.192, 1
mid: mol2,
SDF,
SMILES,
flexibase
0.35,5.26,-30.43,3,3,1, 160.2, 1
Similar to: 34318806, 34318807, 34463246, 34617259, 38251535, ... 6 in total.
|  |
384295
#52
| ChemMol: 44030228
eMolecules: 2590613
Molport: MolPort-003-656-899
AKOS: AKOS001769240
Enamine Building Blocks: EN300-84758...27 total
ref: mol2,
SDF,
SMILES,
flexibase
0.78,2.52,-10.13,3,5,0, 201.251, 4
Similar to: 6265597,
|  |
35655658
#53
| Mcule: MCULE-8222948776
Molport BB: MolPort-006-389-203
TimTec Building Blocks: SBB026980
Zelinsky Institute: UZI/0200522
Zelinsky Institute Building Blocks: B039092...6 total
ref: mol2,
SDF,
SMILES,
flexibase
0.84,6.54,-16.83,2,6,0, 260.345, 3
lo: mol2,
SDF,
SMILES,
flexibase
0.84,6.67,-38.1,3,6,1, 261.353, 3
|  |
35655670
#54
| Mcule: MCULE-3571085404
Molport BB: MolPort-006-389-213
TimTec: ST45055032
TimTec Building Blocks: SBB026991
Zelinsky Institute: UZI/0200529...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.50,6.74,-18.68,2,6,0, 274.372, 3
|  |
35655671
#55
| Mcule: MCULE-3571085404
Molport BB: MolPort-006-389-213
TimTec: ST45055032
TimTec Building Blocks: SBB026991
Zelinsky Institute: UZI/0200529...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.50,7.2,-18.53,2,6,0, 274.372, 3
|  |
35655672
#56
| Mcule: MCULE-7340131242
Molport BB: MolPort-006-389-214
TimTec: ST45055033
TimTec Building Blocks: SBB026992
Zelinsky Institute: UZI/0200530...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.24,6.36,-10.69,2,6,0, 280.763, 2
|  |
35655681
#57
| Molport BB: MolPort-006-389-223
Oakwood Chemical: 070364
TimTec: ST45055044
TimTec Building Blocks: SBB027003
Zelinsky Institute: UZI/0200541...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.87,7.09,-5.26,1,3,0, 263.288, 5
Similar to: 36612849, 36613245,
|  |
2527533
#58
| ChemMol: 44021844, 97805199
eMolecules: 724918
Acros Organics: MO00978
AK Scientific: Z2823
Anward: ANW-60709...36 total
ref: mol2,
SDF,
SMILES,
flexibase
2.26,2.56,-7.08,0,2,0, 228.999, 1
Similar to: 26513441,
|  |
71791923
#59
| eMolecules: 31745367
Molport: MolPort-017-264-075
Fluorochem: 070107
Mcule: MCULE-7153637939
Molport BB: MolPort-017-264-075...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.65,1.35,-8.02,1,3,0, 194.156, 2
hi: mol2,
SDF,
SMILES,
flexibase
0.65,1.78,-41.9,0,3,-1, 193.148, 2
|  |
71791924
#60
| eMolecules: 31745367
Molport: MolPort-017-264-075
Fluorochem: 070107
Mcule: MCULE-7153637939
Molport BB: MolPort-017-264-075...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.65,1.31,-7.97,1,3,0, 194.156, 2
hi: mol2,
SDF,
SMILES,
flexibase
0.65,1.75,-41.93,0,3,-1, 193.148, 2
|  |
71791889
#61
| eMolecules: 31745371
Molport: MolPort-017-264-077
Fluorochem: 070022
KeyOrganics: FS-2659
Mcule: MCULE-9330449607...17 total
ref: mol2,
SDF,
SMILES,
flexibase
1.26,3.71,-6.76,1,4,0, 168.196, 3
|  |
19502654
#62
| eMolecules: 29706236
Enamine Building Blocks: EN300-52480
Fluorochem: 070156
Mcule: MCULE-4355173510
Molport BB: MolPort-004-344-442...17 total
ref: mol2,
SDF,
SMILES,
flexibase
2.78,3.83,-4.91,2,2,0, 205.179, 3
|  |
70913359
#63
| eMolecules: 31745397
Molport: MolPort-017-264-084
Fluorochem: 070048
Mcule: MCULE-3284057475
Molport BB: MolPort-017-264-084...13 total
ref: mol2,
SDF,
SMILES,
flexibase
1.19,3.15,-6.57,2,3,0, 179.145, 3
|  |
71791901
#64
| eMolecules: 31745403
Molport: MolPort-017-264-087
Fluorochem: 070049
Mcule: MCULE-9454255964
Molport BB: MolPort-017-264-087...12 total
ref: mol2,
SDF,
SMILES,
flexibase
1.19,3.06,-5.94,2,3,0, 179.145, 3
lo: mol2,
SDF,
SMILES,
flexibase
1.19,3.22,-32.29,3,3,1, 180.153, 3
|  |
57488727
#65
| eMolecules: 31745411
Molport: MolPort-017-264-089
AK Scientific: 6405AC
Aldrich CPR: JRD0159|ALDRICH
Anward: ANW-63826...24 total
ref: mol2,
SDF,
SMILES,
flexibase
1.79,2.66,-14.52,1,3,0, 193.177, 2
|  |
1383169
#66
| eMolecules: 4850721
AK Scientific: W6299
Aldrich CPR: JRD0148|ALDRICH, CDS016477|ALDRICH
Angene Building Blocks: AGN-PC-0K5OEG
Anward: ANW-47198...44 total
ref: mol2,
SDF,
SMILES,
flexibase
2.30,-0.44,-11.04,1,3,0, 209.632, 2
|  |
26421025
#67
| eMolecules: 27512459
Molport: MolPort-007-995-124
Life Chemicals: F2135-0543
Life Chemicals Building Blocks: F2135-0543
Mcule: MCULE-5772425305...15 total
ref: mol2,
SDF,
SMILES,
flexibase
1.81,1.57,-10.24,1,5,0, 219.196, 2
Similar to: 38257127,
|  |
4277358
#68
| eMolecules: 727216
Acros Organics: CC34909
AK Scientific: Y4267
AKOS: AKOS000126560
Ark Pharm Building Blocks: AK125488...32 total
ref: mol2,
SDF,
SMILES,
flexibase
1.06,1.1,-7.47,1,4,0, 165.148, 2
|  |
2561206
#69
| ChemMol: 44001994, 1034195, 30101506, 97801365
eMolecules: 518525
Molport: MolPort-002-461-870
Acorn PharmaTech: ACN-S003766
Acros Organics: 35802...51 total
ref: mol2,
SDF,
SMILES,
flexibase
2.53,-0.42,-5.71,2,2,0, 204.056, 1
Similar to: 39318835, 39318837,
|  |
12370768
#70
| eMolecules: 17002008
Acros Organics: CC64504
AK Scientific: 1228AC
Anward: ANW-72129
Ark Pharm Building Blocks: AK-55066...34 total
ref: mol2,
SDF,
SMILES,
flexibase
2.12,2.47,-7.7,0,3,0, 173.171, 2
Similar to: 34455501,
|  |
40448375
#71
| ChemMol: 96711705, 44035150
eMolecules: 29916029
AK Scientific: W6943
Angene Building Blocks: AGN-PC-0NI2JQ
Anward: ANW-32307...47 total
ref: mol2,
SDF,
SMILES,
flexibase
1.31,4.04,-10.36,0,3,0, 198.023, 0
|  |
2560126
#72
| ChemMol: 98001886, 1200322, 1037362
eMolecules: 907243
AK Scientific: V8123
AKOS: AKOS000103757
Alfa-Aesar: H26580...53 total
ref: mol2,
SDF,
SMILES,
flexibase
2.32,2.61,-9.91,0,2,0, 172.13, 3
|  |
72209407
#73
| eMolecules: 31745335
Molport: MolPort-017-264-104
Alinda Building Blocks: ALBB-027904
Mcule: MCULE-6999424363
Molport BB: MolPort-017-264-104...11 total
ref: mol2,
SDF,
SMILES,
flexibase
0.33,2.95,-8.3,2,5,0, 189.222, 2
|  |
70646775
#74
| eMolecules: 31745467
Molport: MolPort-017-264-106
Mcule: MCULE-9837289549
Molport BB: MolPort-017-264-106
Princeton BioMolecular Research: OSSL_762043...13 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.55,-0.44,-8.6,3,6,0, 196.21, 1
|  |
2389916
#75
| ChemMol: 44028202
eMolecules: 10653458
Acorn PharmaTech: ACN-P000943
AK Scientific: W5322
Aldrich CPR: CDS008901|ALDRICH...52 total
ref: mol2,
SDF,
SMILES,
flexibase
0.00,1.42,-8.47,1,3,0, 93.089, 0
|  |
70646811
#76
| eMolecules: 31745469
Molport: MolPort-017-264-107
Mcule: MCULE-7861793960
Molport BB: MolPort-017-264-107
Princeton BioMolecular Research: OSSL_762052...14 total
ref: mol2,
SDF,
SMILES,
flexibase
0.51,2.01,-8.33,3,5,0, 194.238, 1
|  |
4291235
#77
| eMolecules: 526577
AK Scientific: Y9583
Anward: ANW-63491
Ark Pharm Building Blocks: AK-80338
BePharm Building Blocks: B105258...32 total
ref: mol2,
SDF,
SMILES,
flexibase
2.37,2.5,-5.87,0,3,0, 173.171, 2
Similar to: 32006576, 39263857, 39956208,
|  |
2548634
#78
| ChemMol: 97805287, 44021873
eMolecules: 31261644
AK Scientific: Z2263
Chemstep: 29742
Fluorochem: 403570...27 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.33,-0.42,-11.75,2,4,0, 139.158, 1
|  |
37756010
#79
| eMolecules: 31745475
Molport: MolPort-014-468-323
Apexmol Building Blocks: AM803135
Enamine Building Blocks: EN300-90370
Mcule: MCULE-4531489348...18 total
ref: mol2,
SDF,
SMILES,
flexibase
2.35,4.78,-10.66,0,2,0, 186.157, 4
|  |
37756013
#80
| eMolecules: 31745477
Molport: MolPort-014-468-326
Enamine Building Blocks: EN300-155250
Mcule: MCULE-7326028103
Molport BB: MolPort-014-468-326...14 total
ref: mol2,
SDF,
SMILES,
flexibase
1.94,4.69,-13.1,0,3,0, 216.183, 5
|  |
37755991
#81
| eMolecules: 31745479
Molport: MolPort-014-468-308
Mcule: MCULE-3644512581
Molport BB: MolPort-014-468-308
Princeton BioMolecular Research: OSSL_762068...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.97,6.33,-10.6,0,2,0, 214.211, 5
|  |
37755994
#82
| eMolecules: 31745501
Molport: MolPort-014-468-311
Mcule: MCULE-2862407150
Molport BB: MolPort-014-468-311
Princeton BioMolecular Research: OSSL_762069...14 total
ref: mol2,
SDF,
SMILES,
flexibase
2.05,5.44,-15.85,0,3,0, 230.21, 5
|  |
37756015
#83
| eMolecules: 31745481
Molport: MolPort-014-468-328
Enamine Building Blocks: EN300-155237
Mcule: MCULE-5029324001
Molport BB: MolPort-014-468-328...15 total
ref: mol2,
SDF,
SMILES,
flexibase
2.31,4.85,-10.67,0,2,0, 186.157, 4
|  |
37756026
#84
| eMolecules: 31745483
Molport: MolPort-014-468-339
Enamine Building Blocks: EN300-155246
Mcule: MCULE-4771694124
Molport BB: MolPort-014-468-339...14 total
ref: mol2,
SDF,
SMILES,
flexibase
2.12,4.85,-9.93,0,3,0, 216.183, 5
|  |
2537516
#85
| ChemMol: 44021874
eMolecules: 31641979
AK Scientific: Z2725
J&K Chemical: A01169642
Mcule: MCULE-2546357767...16 total
ref: mol2,
SDF,
SMILES,
flexibase
0.60,3.2,-8.36,0,3,0, 121.143, 0
Similar to: 32005608,
|  |
72209412
#86
| eMolecules: 31745347
Molport: MolPort-017-264-113
Mcule: MCULE-1151385561
Molport BB: MolPort-017-264-113
Princeton BioMolecular Research: OSSL_762082...12 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.24,2.34,-8.58,2,5,0, 175.195, 1
|  |
36165793
#87
| eMolecules: 31745511
Molport: MolPort-017-264-114
Mcule: MCULE-9375515843
Molport BB: MolPort-017-264-114
Princeton BioMolecular Research: OSSL_762084...13 total
ref: mol2,
SDF,
SMILES,
flexibase
0.12,2.84,-9.01,1,4,0, 179.223, 1
Similar to: 37841355, 37841603, 37841605, 37842327, 44512614, ... 5 in total.
|  |
36164768
#88
| eMolecules: 31745273
Molport: MolPort-017-264-115
Mcule: MCULE-1667083499
Molport BB: MolPort-017-264-115
Princeton BioMolecular Research: OSSL_762085...13 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.94,0.37,-9.54,1,5,0, 181.195, 1
Similar to: 36230565, 35732501,
|  |
36164724
#89
| eMolecules: 31745513
Molport: MolPort-017-264-117, MolPort-020-166-109
Enamine Building Blocks: EN300-73998
Mcule: MCULE-5227341391
Molport BB: MolPort-017-264-117...19 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.38,2.02,-9.85,1,4,0, 165.196, 1
Similar to: 36165455, 37841162, 37841324, 37841340, 37841341, ... 13 in total.
|  |
4536026
#90
| eMolecules: 1467190
Scientific Exchange Building Blocks: F-332565
AKOS: AKOS000218313
Asinex: BAS05307646
Fluorochem: 080086...21 total
ref: mol2,
SDF,
SMILES,
flexibase
2.94,0.84,-4.59,0,2,0, 200.285, 1
Similar to: 32122596, 34653218, 44514634,
|  |
20352137
#91
| eMolecules: 31745255
Mcule: MCULE-5481913942
Molport BB: MolPort-000-899-441
Princeton BioMolecular Research: OSSL_762093
TimTec: ST51154104...16 total
ref: mol2,
SDF,
SMILES,
flexibase
2.14,3.08,-7.92,2,2,0, 191.152, 3
|  |
5177836
#92
| eMolecules: 4858660
AKOS: AKOS001416149
American Custom Chemicals Corp.: CHM0105392
Enamine Building Blocks: EN300-28762
Fluorochem: 350812...20 total
ref: mol2,
SDF,
SMILES,
flexibase
1.23,5.24,-9.57,1,4,0, 201.229, 2
lo: mol2,
SDF,
SMILES,
flexibase
1.23,5.76,-37.43,2,4,1, 202.237, 2
lo: mol2,
SDF,
SMILES,
flexibase
1.23,5.75,-37.76,2,4,1, 202.237, 2
|  |
57324150
#93
| eMolecules: 45907951
Molport: MolPort-017-264-119
Mcule: MCULE-8418247258
Molport BB: MolPort-017-264-119
Princeton BioMolecular Research: OSSL_762098...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.49,2.45,-8.27,1,3,0, 201.172, 3
|  |
32132696
#94
| eMolecules: 31745337
Molport: MolPort-015-142-597
BioBlocks: A4574/0195758
BioBlocks BB: ZERO/010865
ChemDiv BuildingBlocks: BB54-5211...18 total
ref: mol2,
SDF,
SMILES,
flexibase
-0.33,2.47,-8.05,2,5,0, 161.168, 1
Similar to: 1726458,
|  |
42384151
#95
| eMolecules: 30474335
Molport: MolPort-016-631-384
Aldrich CPR: CBR00929|ALDRICH
Ark Pharm Building Blocks: AK-85663
ChemBridge BuildingBlocks: 4089407...26 total
ref: mol2,
SDF,
SMILES,
flexibase
-1.02,-3.55,-9.15,5,5,0, 126.119, 1
|  |
2538732
#96
| AKOS: AKOS000132051
Mcule: MCULE-9685933516
Molport BB: MolPort-000-891-893
TimTec Building Blocks: SBB022454
Zelinsky Institute: UZI/0200678...11 total
ref: mol2,
SDF,
SMILES,
flexibase
0.38,3.01,-9.5,2,5,0, 179.158, 1
|  |
400101
#97
| Molport: MolPort-000-891-898
AK Scientific: 9051AC
AKOS: AKOS000215525
Aldrich CPR: S836281|ALDRICH
Chembo Pharma: KB-35142...43 total
ref: mol2,
SDF,
SMILES,
flexibase
2.98,-1.08,-4.51,2,1,0, 201.294, 2
Similar to: 6093318, 6116161, 6116164, 34472236, 38589780, ... 5 in total.
|  |
12357646
#98
| AKOS: AKOS000311087
Matrix Scientific: 022409
Mcule: MCULE-8441156699
Molport BB: MolPort-000-891-938
TimTec: ST45055062...19 total
ref: mol2,
SDF,
SMILES,
flexibase
2.30,-1.16,-7.17,2,3,0, 220.659, 2
lo: mol2,
SDF,
SMILES,
flexibase
2.30,-1.05,-30.9,3,3,1, 221.667, 2
|  |
2554531
#99
| Enamine Building Blocks: EN300-155236
Mcule: MCULE-3777003463
Molport BB: MolPort-000-892-524
TimTec: ST45055068
TimTec Building Blocks: SBB022842...10 total
ref: mol2,
SDF,
SMILES,
flexibase
2.43,1.05,-10.84,0,3,0, 240.715, 3
|  |
3356990
#100
| eMolecules: 590646
ACB Blocks: AIZ-0002
AKOS: AKOS000266747
Aldrich CPR: L482900|ALDRICH
Alinda Building Blocks: ALBB-005933...53 total
ref: mol2,
SDF,
SMILES,
flexibase
2.15,2.75,-8.48,2,3,0, 174.203, 1
lo: mol2,
SDF,
SMILES,
flexibase
2.15,2.7,-26.88,3,3,1, 175.211, 1
Similar to: 3704513, 3704517, 3704518, 3704523, 3704525, ... 6 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 = 638 ) limit 0,100
