ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
95884491
#1
  
 | Sweetlead: SW02903
ref: mol2,
SDF,
SMILES,
flexibase
1.30,3.05,-11.28,3,5,0, 390.52, 2
|  |
95884490
#2
| Sweetlead: SW02903
ref: mol2,
SDF,
SMILES,
flexibase
1.30,3.68,-12.26,3,5,0, 390.52, 2
|  |
95884489
#3
| Sweetlead: SW02903
ref: mol2,
SDF,
SMILES,
flexibase
1.30,2.88,-12.14,3,5,0, 390.52, 2
|  |
95884488
#4
| Sweetlead: SW02903
ref: mol2,
SDF,
SMILES,
flexibase
1.30,2.85,-11.46,3,5,0, 390.52, 2
|  |
95884487
#5
| Sweetlead: SW02901
ref: mol2,
SDF,
SMILES,
flexibase
2.74,11.08,-49.44,1,6,1, 390.5, 2
|  |
95884486
#6
| Sweetlead: SW02901
ref: mol2,
SDF,
SMILES,
flexibase
2.74,11.86,-60.53,1,6,1, 390.5, 2
|  |
95884485
#7
| Sweetlead: SW02901
ref: mol2,
SDF,
SMILES,
flexibase
2.74,11.05,-60.51,1,6,1, 390.5, 2
|  |
95884483
#8
| Sweetlead: SW02901
ref: mol2,
SDF,
SMILES,
flexibase
2.74,11.21,-54.58,1,6,1, 390.5, 2
|  |
95616600
#9
| eMolecules: 594884, 902550
AK Scientific: H977
Chembo Pharma: KB-278210, KB-147102
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...67 total
|  |
95616599
#10
| eMolecules: 594884, 902550
AK Scientific: H977
Chembo Pharma: KB-147102, KB-278210
Element Store BB: b2star-63590-64-7
Enamine: Z1172269406...61 total
|  |
33830018
#11
| Sweetlead: SW02857
ref: mol2,
SDF,
SMILES,
flexibase
3.75,11.42,-41.48,2,3,1, 386.6, 2
Similar to: 13380807, 13380808, 13380809, 13380810, ... 4 in total.
|  |
33830017
#12
| Sweetlead: SW02857
ref: mol2,
SDF,
SMILES,
flexibase
3.75,9.91,-40.03,2,3,1, 386.6, 2
Similar to: 13380807, 13380808, 13380809, 13380810, ... 4 in total.
|  |
33830016
#13
| Sweetlead: SW02857
ref: mol2,
SDF,
SMILES,
flexibase
3.75,11.42,-41.49,2,3,1, 386.6, 2
Similar to: 13380807, 13380808, 13380809, 13380810, ... 4 in total.
|  |
33753852
#14
| Sweetlead: SW02844
ref: mol2,
SDF,
SMILES,
flexibase
3.80,8.19,-43.64,3,6,1, 385.484, 5
mid: mol2,
SDF,
SMILES,
flexibase
3.80,6.08,-10.72,2,6,0, 384.476, 5
Similar to: 13473307,
|  |
33830336
#15
| Sweetlead: SW02817
ref: mol2,
SDF,
SMILES,
flexibase
2.60,8.98,-30.54,2,6,1, 383.468, 5
hi: mol2,
SDF,
SMILES,
flexibase
2.60,6.95,-10.37,1,6,0, 382.46, 5
Similar to: 36378782, 36378783, 36378784, 36378785, ... 6 in total.
|  |
55300970
#16
| TimTec Natural Derivatives: ST077166
Collaborative Drug Discovery: 45469
Sweetlead: SW02816
The Broad via PubChem: BRD-A07616163-001-01-4
|  |
55300969
#17
| TimTec Natural Derivatives: ST077166
Collaborative Drug Discovery: 45469
Sweetlead: SW02816
The Broad via PubChem: BRD-A07616163-001-01-4
|  |
55300968
#18
| eMolecules: 2566944
AK Scientific: W1045
IBScreen NP: STOCK1N-13173
Pharmeks: PHAR033928
Specs Natural Products: AH-214/21197002...12 total
|  |
53178267
#19
| TimTec Natural Derivatives: ST077166
ChEMBL12: CHEMBL487132
ChEMBL19: CHEMBL487132
Collaborative Drug Discovery: 45469
Leadscope via PubChem: LS-83898...7 total
|  |
95616601
#20
| eMolecules: 670703, 531061
AK Scientific: H764
Aldrich CPR: R736384|ALDRICH
Ark Pharm Building Blocks: AK116466
BioSynth: W-107722...74 total
|  |
14413755
#21
| Sweetlead: SW02808
ref: mol2,
SDF,
SMILES,
flexibase
-1.97,5.29,-8.66,0,6,0, 381.856, 3
|  |
95884482
#22
| Sweetlead: SW02792
ref: mol2,
SDF,
SMILES,
flexibase
0.21,6.07,-56.47,2,6,1, 381.452, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.21,4.6,-10.44,1,6,0, 380.444, 0
|  |
95884481
#23
| Sweetlead: SW02792
ref: mol2,
SDF,
SMILES,
flexibase
0.21,6.17,-65.04,2,6,1, 381.452, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.21,4.95,-14.12,1,6,0, 380.444, 0
|  |
95884480
#24
| Sweetlead: SW02792
ref: mol2,
SDF,
SMILES,
flexibase
0.21,6.61,-62.72,2,6,1, 381.452, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.21,6.06,-13.87,1,6,0, 380.444, 0
|  |
95884479
#25
| Sweetlead: SW02792
ref: mol2,
SDF,
SMILES,
flexibase
0.21,5.2,-49.68,2,6,1, 381.452, 0
mid: mol2,
SDF,
SMILES,
flexibase
0.21,2.8,-9.61,1,6,0, 380.444, 0
|  |
33830536
#26
| Sweetlead: SW02782
ref: mol2,
SDF,
SMILES,
flexibase
0.24,-2.43,-10.83,5,6,0, 380.481, 1
Similar to: 36375141, 36375144, 36375147,
|  |
33830535
#27
| Sweetlead: SW02782
ref: mol2,
SDF,
SMILES,
flexibase
0.24,-1.69,-9.65,5,6,0, 380.481, 1
Similar to: 36375141, 36375144, 36375147,
|  |
3861440
#28
| eMolecules: 487691
Molport: MolPort-003-894-890
AK Scientific: T805
Alfa-Aesar: A12181
American Custom Chemicals Corp.: CHM0032193...34 total
ref: mol2,
SDF,
SMILES,
flexibase
6.80,12.45,-11.65,1,5,0, 380.451, 4
ref: mol2,
SDF,
SMILES,
flexibase
7.99,9.26,-10.55,1,5,0, 380.451, 4
ref: mol2,
SDF,
SMILES,
flexibase
7.99,9.35,-11,1,5,0, 380.451, 4
Similar to: 5781302, 6439812,
|  |
95884478
#29
| Sweetlead: SW02767
ref: mol2,
SDF,
SMILES,
flexibase
-2.40,-9.75,-12.29,7,10,0, 378.374, 3
|  |
95884477
#30
| Sweetlead: SW02767
ref: mol2,
SDF,
SMILES,
flexibase
-2.40,-11.46,-13.82,7,10,0, 378.374, 3
|  |
95884476
#31
| Sweetlead: SW02767
ref: mol2,
SDF,
SMILES,
flexibase
-2.40,-10.8,-13.91,7,10,0, 378.374, 3
|  |
95884475
#32
| Sweetlead: SW02767
ref: mol2,
SDF,
SMILES,
flexibase
-2.40,-12.02,-15.91,7,10,0, 378.374, 3
|  |
53070713
#33
| Enolase via KEGG (EFI): C06977_8
AK Scientific: K298, H531
Aldrich CPR: CDS020548|ALDRICH
American Custom Chemicals Corp.: AAA0007725
APIChem: AC-920...73 total
|  |
38197764
#34
| eMolecules: 901933
Molport: MolPort-020-179-984
AK Scientific: O378
Alinda Building Blocks: ALBB-028535
APIChem: AC-1944...107 total
mid: mol2,
SDF,
SMILES,
flexibase
-0.04,7.05,-52.32,3,7,1, 376.408, 4
mid: mol2,
SDF,
SMILES,
flexibase
-2.78,7.73,-77.5,3,7,1, 376.408, 3
hi: mol2,
SDF,
SMILES,
flexibase
-0.04,7.83,-63.43,1,7,-1, 374.392, 4
|  |
597048
#35
| Anward: ANW-44670
Ark Pharm Building Blocks: AK-56852
BePharm Building Blocks: B41232
BOC Sciences BB: 123663-49-0
Oakwood Chemical: 213725...20 total
ref: mol2,
SDF,
SMILES,
flexibase
2.51,1.76,-42.1,3,8,1, 375.382, 4
ref: mol2,
SDF,
SMILES,
flexibase
2.56,-1.9,-38.85,3,8,1, 375.382, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.88,3.14,-23.66,2,8,0, 374.374, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.93,-0.42,-15.98,2,8,0, 374.374, 5
lo: mol2,
SDF,
SMILES,
flexibase
2.56,-0.8,-118.57,4,8,2, 376.39, 4
Similar to: 34351092, 34351099, 34351111, 34351189, ... 4 in total.
|  |
33830022
#36
| Sweetlead: SW02720
ref: mol2,
SDF,
SMILES,
flexibase
3.51,9.88,-45.29,3,3,1, 372.573, 2
Similar to: 4945974, 4945975, 4945977, 4945978, 14917583, ... 6 in total.
|  |
33830021
#37
| Sweetlead: SW02720
ref: mol2,
SDF,
SMILES,
flexibase
3.51,8.78,-43.54,3,3,1, 372.573, 2
Similar to: 4945974, 4945975, 4945977, 4945978, 14917583, ... 6 in total.
|  |
33830020
#38
| Sweetlead: SW02720
ref: mol2,
SDF,
SMILES,
flexibase
3.51,9.84,-45.37,3,3,1, 372.573, 2
|  |
53226781
#39
| Enolase via KEGG (EFI): C07706_32
Molport: MolPort-003-666-611
AK Scientific: I553, V2111
American Custom Chemicals Corp.: API0003795
APIChem: AC-18420...71 total
|  |
26846068
#40
| ChEMBL12: CHEMBL326900
ChEMBL19: CHEMBL326900
KEGG via PubChem: C16971
KEGG-C via PubChem: C16971
Leadscope via PubChem: LS-55031...6 total
ref: mol2,
SDF,
SMILES,
flexibase
3.83,11.14,-37.61,2,5,1, 367.469, 5
mid: mol2,
SDF,
SMILES,
flexibase
3.83,9.18,-9.01,1,5,0, 366.461, 5
Similar to: 33772490, 33772491, 33772492, 33772493, 33831393, ... 12 in total.
|  |
33829749
#41
| Sweetlead: SW02645
ref: mol2,
SDF,
SMILES,
flexibase
1.37,-1.51,-8.91,5,5,0, 366.498, 1
Similar to: 44405948, 17147939, 17147941, 17147937, 16968866, ... 9 in total.
|  |
33829748
#42
| Sweetlead: SW02645
ref: mol2,
SDF,
SMILES,
flexibase
1.37,-1.39,-8.27,5,5,0, 366.498, 1
Similar to: 44405948, 17147939, 17147941, 17147937, 16968866, ... 9 in total.
|  |
33829747
#43
| Sweetlead: SW02645
ref: mol2,
SDF,
SMILES,
flexibase
1.37,-2.95,-7.55,5,5,0, 366.498, 1
|  |
33829746
#44
| Sweetlead: SW02645
ref: mol2,
SDF,
SMILES,
flexibase
1.37,-1.56,-10.29,5,5,0, 366.498, 1
Similar to: 44405948, 17147939, 17147941, 17147937, 16968866, ... 9 in total.
|  |
95884474
#45
| Sweetlead: SW02635
ref: mol2,
SDF,
SMILES,
flexibase
1.87,7.11,-54.1,1,5,1, 365.453, 1
|  |
95884473
#46
| Sweetlead: SW02635
ref: mol2,
SDF,
SMILES,
flexibase
1.87,7.42,-54.43,1,5,1, 365.453, 1
|  |
33832294
#47
| Sweetlead: SW02625
ref: mol2,
SDF,
SMILES,
flexibase
1.19,0.2,-10.74,4,5,0, 364.482, 1
Similar to: 36375141, 36375144, 36375147,
|  |
33832293
#48
| Sweetlead: SW02625
ref: mol2,
SDF,
SMILES,
flexibase
1.19,1.71,-5.98,4,5,0, 364.482, 1
Similar to: 36375141, 36375144, 36375147,
|  |
95884471
#49
| Sweetlead: SW02624
ref: mol2,
SDF,
SMILES,
flexibase
1.19,1.67,-9.6,4,5,0, 364.482, 1
|  |
95884470
#50
| Sweetlead: SW02624
ref: mol2,
SDF,
SMILES,
flexibase
1.19,0.11,-12.19,4,5,0, 364.482, 1
|  |
95884468
#51
| Sweetlead: SW02624
ref: mol2,
SDF,
SMILES,
flexibase
1.19,1.02,-7.86,4,5,0, 364.482, 1
|  |
95884466
#52
| Sweetlead: SW02624
ref: mol2,
SDF,
SMILES,
flexibase
1.19,2.23,-12.07,4,5,0, 364.482, 1
|  |
95884464
#53
| Sweetlead: SW02623
ref: mol2,
SDF,
SMILES,
flexibase
1.19,1.95,-8.17,4,5,0, 364.482, 1
|  |
95884463
#54
| Sweetlead: SW02623
ref: mol2,
SDF,
SMILES,
flexibase
1.19,-0.04,-8.64,4,5,0, 364.482, 1
|  |
95884462
#55
| Sweetlead: SW02623
ref: mol2,
SDF,
SMILES,
flexibase
1.19,0.2,-7.56,4,5,0, 364.482, 1
|  |
95884461
#56
| Sweetlead: SW02623
ref: mol2,
SDF,
SMILES,
flexibase
1.19,0.68,-9.94,4,5,0, 364.482, 1
|  |
32146720
#57
| Sweetlead: SW02606
ref: mol2,
SDF,
SMILES,
flexibase
4.55,10.53,-46.05,2,3,1, 362.493, 3
mid: mol2,
SDF,
SMILES,
flexibase
4.55,8.73,-9.5,1,3,0, 361.485, 3
Similar to: 32146726,
|  |
95884459
#58
| Sweetlead: SW02603
ref: mol2,
SDF,
SMILES,
flexibase
0.25,3.23,-39.67,3,6,1, 362.446, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.25,3.76,-60.75,2,6,0, 361.438, 3
mid: mol2,
SDF,
SMILES,
flexibase
0.25,1,-8.05,2,6,0, 361.438, 3
|  |
4096261
#59
| Molport: MolPort-006-124-300
American Custom Chemicals Corp.: PEP0003479
Bachem: H-4915
BioSynth: W-107333
Bosche Scientific: P6419...61 total
ref: mol2,
SDF,
SMILES,
flexibase
-2.03,0.18,-23.59,5,10,0, 362.39, 6
mid: mol2,
SDF,
SMILES,
flexibase
-2.03,0.01,-48.98,6,10,1, 363.398, 6
mid: mol2,
SDF,
SMILES,
flexibase
-1.91,-8.71,-54.13,6,10,1, 363.398, 6
mid: mol2,
SDF,
SMILES,
flexibase
-1.91,-10.03,-22.33,5,10,0, 362.39, 6
mid: mol2,
SDF,
SMILES,
flexibase
-1.91,-9.27,-22.9,5,10,0, 362.39, 6
mid: mol2,
SDF,
SMILES,
flexibase
-1.91,-8.91,-58.35,6,10,1, 363.398, 6
mid: mol2,
SDF,
SMILES,
flexibase
-2.03,-0.51,-25.71,5,10,0, 362.39, 6
mid: mol2,
SDF,
SMILES,
flexibase
-2.03,0.02,-48.79,6,10,1, 363.398, 6
Similar to: 4654627, 5762965, 5762966, 5762968, 5762970, ... 18 in total.
|  |
95884457
#60
| Sweetlead: SW02595
ref: mol2,
SDF,
SMILES,
flexibase
1.90,10.66,-34.52,1,6,1, 361.462, 3
mid: mol2,
SDF,
SMILES,
flexibase
1.90,9.79,-7.13,0,6,0, 360.454, 3
|  |
95884455
#61
| Sweetlead: SW02595
ref: mol2,
SDF,
SMILES,
flexibase
1.90,10.16,-49.32,1,6,1, 361.462, 3
mid: mol2,
SDF,
SMILES,
flexibase
1.90,7.86,-12.02,0,6,0, 360.454, 3
|  |
32220155
#62
| Sweetlead: SW02589
ref: mol2,
SDF,
SMILES,
flexibase
1.53,9.35,-19.75,0,9,0, 361.354, 10
|  |
32220156
#63
| Sweetlead: SW02589
ref: mol2,
SDF,
SMILES,
flexibase
1.53,9.46,-17.87,0,9,0, 361.354, 10
|  |
32220157
#64
| Sweetlead: SW02589
ref: mol2,
SDF,
SMILES,
flexibase
1.53,9.61,-19.26,0,9,0, 361.354, 10
|  |
32220158
#65
| Sweetlead: SW02589
ref: mol2,
SDF,
SMILES,
flexibase
1.53,9.57,-19.13,0,9,0, 361.354, 10
|  |
95884449
#66
| Sweetlead: SW02578
ref: mol2,
SDF,
SMILES,
flexibase
1.67,7.85,-14.59,1,6,0, 360.406, 3
|  |
95884448
#67
| Sweetlead: SW02578
ref: mol2,
SDF,
SMILES,
flexibase
1.67,8.09,-14.23,1,6,0, 360.406, 3
|  |
95884446
#68
| Sweetlead: SW02578
ref: mol2,
SDF,
SMILES,
flexibase
1.67,7.63,-12.77,1,6,0, 360.406, 3
|  |
95884444
#69
| Sweetlead: SW02578
ref: mol2,
SDF,
SMILES,
flexibase
1.67,7.72,-11.79,1,6,0, 360.406, 3
|  |
95884442
#70
| Sweetlead: SW02573
ref: mol2,
SDF,
SMILES,
flexibase
-0.26,7.11,-145.34,1,7,-2, 360.362, 2
|  |
95884440
#71
| Sweetlead: SW02573
ref: mol2,
SDF,
SMILES,
flexibase
-0.26,6.59,-142.97,1,7,-2, 360.362, 2
|  |
95884438
#72
| Sweetlead: SW02573
ref: mol2,
SDF,
SMILES,
flexibase
-0.26,6.6,-126.97,1,7,-2, 360.362, 2
|  |
53151228
#73
| Active BioPharma: 913
American Custom Chemicals Corp.: API0002261
MicroSource Pharmakon: 01505492
MicroSource US Drugs: 01505492
Molport BB: MolPort-003-958-638...48 total
Similar to: 59867993, 59868000, 59868006,
|  |
53147422
#74
| eMolecules: 672997, 1175580
Molport: MolPort-001-742-553, MolPort-001-918-389
Aldrich CPR: R751618|ALDRICH
American Custom Chemicals Corp.: HBL0000084, API0004044
AnalytiCon Discovery NP (Depleted): NP-010163...61 total
Similar to: 1698429, 3978730, 4015781, 4015782, 4015783, ... 9 in total.
|  |
56870899
#75
| Biocyc via PubChem: GEISSOSCHIZINE
ChEBI: CHEBI:17037
KEGG via PubChem: C02151
KEGG-C via PubChem: C02151
Sweetlead: SW02482...5 total
ref: mol2,
SDF,
SMILES,
flexibase
3.74,7.95,-9.99,1,5,0, 352.434, 4
Similar to: 16997890, 16997893, 16997895,
|  |
30724353
#76
| Biocyc via PubChem: GEISSOSCHIZINE
ChEBI: CHEBI:17037
IBM Patent Data: 136117406
KEGG via PubChem: C02151
KEGG-C via PubChem: C02151...6 total
ref: mol2,
SDF,
SMILES,
flexibase
3.74,10.25,-43.88,2,5,1, 353.442, 4
mid: mol2,
SDF,
SMILES,
flexibase
3.74,8.04,-8.35,1,5,0, 352.434, 4
|  |
95884435
#77
| Sweetlead: SW02481
ref: mol2,
SDF,
SMILES,
flexibase
1.77,7.46,-49.74,2,5,1, 353.442, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.77,3.92,-7.71,1,5,0, 352.434, 0
|  |
95884434
#78
| Sweetlead: SW02481
ref: mol2,
SDF,
SMILES,
flexibase
1.77,7.87,-51.48,2,5,1, 353.442, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.77,5.55,-8.11,1,5,0, 352.434, 0
|  |
95884431
#79
| Sweetlead: SW02481
ref: mol2,
SDF,
SMILES,
flexibase
1.77,5.53,-48.35,2,5,1, 353.442, 0
hi: mol2,
SDF,
SMILES,
flexibase
1.77,3.13,-8.08,1,5,0, 352.434, 0
|  |
85994851
#80
| eMolecules: 478288
AK Scientific: R534
Aldrich CPR: S364843|ALDRICH
Alinda: IVK/8171114
Angene Building Blocks: AGN-PC-0JK779...38 total
|  |
95884429
#81
| Sweetlead: SW02471
|  |
95884427
#82
| Sweetlead: SW02468
ref: mol2,
SDF,
SMILES,
flexibase
-0.46,9.62,-52.14,1,6,1, 352.451, 2
|  |
4081845
#83
| eMolecules: 48555992
TCM Database @ Taiwan: tcm03_006014
American Custom Chemicals Corp.: API0009902
IBScreen NP: STOCK1N-53029
Prestwick Chemical: 637...16 total
ref: mol2,
SDF,
SMILES,
flexibase
1.00,5.37,-43.05,3,7,1, 352.407, 1
mid: mol2,
SDF,
SMILES,
flexibase
1.00,1.23,-10.55,2,7,0, 351.399, 1
Similar to: 4964098, 4964101, 4964105, 5037472, 5037473, ... 19 in total.
|  |
95884425
#84
| Sweetlead: SW02429
ref: mol2,
SDF,
SMILES,
flexibase
1.55,5.92,-45.25,2,6,1, 348.419, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.55,3.91,-9.42,1,6,0, 347.411, 3
|  |
95884424
#85
| Sweetlead: SW02429
ref: mol2,
SDF,
SMILES,
flexibase
1.55,5.3,-43.42,2,6,1, 348.419, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.55,3.72,-8.55,1,6,0, 347.411, 3
|  |
95884422
#86
| Sweetlead: SW02429
ref: mol2,
SDF,
SMILES,
flexibase
1.55,6.1,-41.58,2,6,1, 348.419, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.55,3.79,-9.58,1,6,0, 347.411, 3
|  |
95884421
#87
| Sweetlead: SW02429
ref: mol2,
SDF,
SMILES,
flexibase
1.55,5.68,-43.05,2,6,1, 348.419, 3
hi: mol2,
SDF,
SMILES,
flexibase
1.55,3.34,-9.67,1,6,0, 347.411, 3
|  |
95884419
#88
| Sweetlead: SW02428
ref: mol2,
SDF,
SMILES,
flexibase
1.06,3.97,-12.54,2,6,0, 348.395, 4
|  |
95884418
#89
| Sweetlead: SW02428
ref: mol2,
SDF,
SMILES,
flexibase
1.06,3.76,-12.45,2,6,0, 348.395, 4
|  |
95884413
#90
| Sweetlead: SW02428
ref: mol2,
SDF,
SMILES,
flexibase
1.06,4.13,-12.01,2,6,0, 348.395, 4
|  |
95884412
#91
| Sweetlead: SW02428
ref: mol2,
SDF,
SMILES,
flexibase
1.06,4.22,-11.42,2,6,0, 348.395, 4
|  |
95884411
#92
| Sweetlead: SW02400
ref: mol2,
SDF,
SMILES,
flexibase
-0.39,3.96,-52.26,2,6,-1, 345.371, 2
|  |
95884410
#93
| Sweetlead: SW02400
ref: mol2,
SDF,
SMILES,
flexibase
-0.39,3.71,-46.67,2,6,-1, 345.371, 2
|  |
95884409
#94
| Sweetlead: SW02400
ref: mol2,
SDF,
SMILES,
flexibase
-0.39,4.38,-66.77,2,6,-1, 345.371, 2
|  |
95884408
#95
| Sweetlead: SW02396
ref: mol2,
SDF,
SMILES,
flexibase
4.54,11.65,-74.85,3,2,2, 344.587, 1
|  |
95884407
#96
| Sweetlead: SW02396
ref: mol2,
SDF,
SMILES,
flexibase
4.54,11.39,-75.65,3,2,2, 344.587, 1
|  |
95884404
#97
| Sweetlead: SW02396
ref: mol2,
SDF,
SMILES,
flexibase
4.54,11.38,-74.73,3,2,2, 344.587, 1
|  |
95884402
#98
| Sweetlead: SW02396
ref: mol2,
SDF,
SMILES,
flexibase
4.54,11.61,-81.34,3,2,2, 344.587, 1
|  |
33830295
#99
| Sweetlead: SW02395
ref: mol2,
SDF,
SMILES,
flexibase
4.54,11.45,-77.94,3,2,2, 344.587, 1
Similar to: 1090509, 3977746, 3977747, 3977748, 3977749, ... 9 in total.
|  |
33830294
#100
| Sweetlead: SW02395
ref: mol2,
SDF,
SMILES,
flexibase
4.54,11.68,-78.34,3,2,2, 344.587, 1
Similar to: 1090509, 3977746, 3977747, 3977748, 3977749, ... 9 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 = 779 ) limit 0,100
