UCSF banner
Search Results
Initial search took 0 second(s).
Beginning : #1 Hits: 100 Display:   per page=

Download: Show Detail?
Done
ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

Click for quick 3D display
18255082
 
#1

eMolecules: 26273000
Molport: MolPort-002-565-582
AKOS: AKOS000323524
IBScreen: STOCK2S-39433
Mcule: MCULE-2594494867...11 total

ref: mol2, SDF, SMILES, flexibase
2.20,2.41,-12.63,1,6,0, 290.3, 1
lo: mol2, SDF, SMILES, flexibase
2.20,3.51,-37.97,2,6,1, 291.308, 1
13470851
 
#2

Molport: MolPort-002-003-305
AKOS: AKOS000323512
Asinex: BAS06100255
Mcule: MCULE-3423960015
Synthon-Lab: SL003606...11 total

ref: mol2, SDF, SMILES, flexibase
2.17,6.51,-18.34,3,6,0, 318.336, 5

Similar to: 4113146,
48512911
 
#3

Molport: MolPort-018-675-683
Synthon-Lab: SL091035
ref: mol2, SDF, SMILES, flexibase
2.01,8.26,-22.23,1,3,0, 214.292, 2
hi: mol2, SDF, SMILES, flexibase
2.01,7.45,-11.36,0,3,0, 213.284, 2
38536770
 
#4

Synthon-Lab: SL088148
ref: mol2, SDF, SMILES, flexibase
3.95,15.23,-66.46,1,5,-1, 467.979, 6
hi: mol2, SDF, SMILES, flexibase
3.95,15.19,-64.47,1,5,-1, 467.979, 6
lo: mol2, SDF, SMILES, flexibase
3.95,15.16,-89.49,2,5,0, 468.987, 6

Similar to: 45315594, 2975928, 4819344, 15226987, 2989900, ... 5 in total.
2121696
 
#5

eMolecules: 26784820
Molport: MolPort-019-725-487
AKOS: AKOS000287939
American Custom Chemicals Corp.: CHM0266376
Mcule: MCULE-9031446392...16 total

ref: mol2, SDF, SMILES, flexibase
1.16,-0.47,-53.11,0,6,-1, 352.413, 6

Similar to: 4844595, 16912796, 16912800, 16912804, 16914066, ... 15 in total.
2119631
 
#6

AKOS: AKOS000287914
American Custom Chemicals Corp.: CHM0205207
Mcule: MCULE-5266201111
Synthon-Lab: SL092688
Toslab: 721737...12 total

ref: mol2, SDF, SMILES, flexibase
0.79,-0.67,-53.38,0,6,-1, 338.386, 5

Similar to: 16912796, 16914066, 16914070, 16917147, 16917152, ... 6 in total.
4973477
 
#7

AKOS: AKOS000735647
Asinex: ASN14096922
Synthon-Lab: SL090441
ChEMBL12: CHEMBL408002
ChEMBL19: CHEMBL408002...8 total

ref: mol2, SDF, SMILES, flexibase
1.51,6.61,-47.89,1,5,-1, 273.312, 6
4973444
 
#8

AKOS: AKOS000741458
Synthon-Lab: SL090421
PubChem: 40501000, 6498698
Ambinter: Amb9129706
ref: mol2, SDF, SMILES, flexibase
1.13,5.62,-48.38,1,5,-1, 259.285, 5

Similar to: 6687582,
2914742
 
#9

eMolecules: 25872469
Molport: MolPort-001-945-554
Scientific Exchange (make on demand): X-007198
AKOS: AKOS001595824
American Custom Chemicals Corp.: HCH0132299...20 total

ref: mol2, SDF, SMILES, flexibase
5.34,2.27,-58.94,0,5,-1, 474.461, 5

Similar to: 3639717, 3639718, 3639719, 3639724, 3639727, ... 10 in total.
48508582
 
#10

Scientific Exchange (make on demand): F-415516
AKOS: AKOS000113971
Synthon-Lab: SL090132
AKOS BB (make-on-demand): AKOS000113971
PubChem: 45923306...6 total

ref: mol2, SDF, SMILES, flexibase
6.60,13.06,-49.96,2,3,1, 399.297, 6
mid: mol2, SDF, SMILES, flexibase
6.60,11.7,-7.3,1,3,0, 398.289, 6
5595926
 
#11

eMolecules: 837575
Molport: MolPort-000-871-441
AKOS: AKOS000268502
Chembo Pharma: KB-95176
ChemBridge: 7687579...20 total

ref: mol2, SDF, SMILES, flexibase
4.06,11,-10.31,1,3,0, 393.331, 1

Similar to: 35697676, 35698465,
38536787
 
#12

AKOS: AKOS000370027
Synthon-Lab: SL088906
Vitas-M: STL368296
Princeton BioMolecular (Depleted): OSSL_896854
PubChem: 45920390...5 total

ref: mol2, SDF, SMILES, flexibase
4.35,11.75,-23.36,0,8,0, 332.312, 7

Similar to: 47354200, 57885142, 60706509, 60706512, ... 5 in total.
336359
 
#13

eMolecules: 1503971
Molport: MolPort-002-011-928
AKOS: AKOS000100680
Asinex: BAS07787189
Mcule: MCULE-7549248690...21 total

ref: mol2, SDF, SMILES, flexibase
-0.30,4.41,-62.27,0,6,-1, 235.219, 4
4413895
 
#14

eMolecules: 1539587
Molport: MolPort-000-997-545
AKOS: AKOS000104257
Asinex: BAS12631867
BioBlocks: A4045/0172490...20 total

ref: mol2, SDF, SMILES, flexibase
0.37,2.68,-51.43,0,6,-1, 235.219, 5
lo: mol2, SDF, SMILES, flexibase
0.37,3.38,-54.46,1,6,0, 236.227, 5
38536747
 
#15

AKOS: AKOS000370370
Synthon-Lab: SL087487
PubChem: 46738600
ref: mol2, SDF, SMILES, flexibase
4.05,11.75,-47.87,2,6,1, 370.473, 9
199570
 
#16

eMolecules: 207252008
Molport: MolPort-019-948-593
AKOS: AKOS002194424
Aldrich CPR: L362441|ALDRICH
Enamine: Z57785058...19 total

ref: mol2, SDF, SMILES, flexibase
3.89,10.49,-16.82,0,5,0, 348.431, 3

Similar to: 4140909, 6364086, 6386920, 6388434, 12462078, ... 8 in total.
6703972
 
#17

eMolecules: 2283242
AKOS: AKOS000347770
AsisChem: E01984
Molport BB: MolPort-002-104-169
Synthon-Lab: SL091143...12 total

ref: mol2, SDF, SMILES, flexibase
1.05,4.46,-10.18,1,4,0, 220.203, 1
190315
 
#18

eMolecules: 2279568
AKOS: AKOS000347703
AsisChem: E01980
Molport BB: MolPort-002-102-600
Synthon-Lab: SL091087...18 total

ref: mol2, SDF, SMILES, flexibase
0.89,4.39,-10.45,1,4,0, 202.213, 1

Similar to: 9024550, 36456575,
49946875
 
#19

eMolecules: 1365211
Molport: MolPort-000-875-162
Scientific Exchange (make on demand): T-065459
AKOS: AKOS000487084
Alinda: IBS-L0061250...20 total

ref: mol2, SDF, SMILES, flexibase
2.75,8.72,-6.69,0,3,0, 227.311, 2

Similar to: 39378832, 39378834,
19881732
 
#20

eMolecules: 26791118
Molport: MolPort-019-791-432
AKOS: AKOS005068475
Mcule: MCULE-5818646613
Ryan Scientific (Depleted): 003-78909...12 total

ref: mol2, SDF, SMILES, flexibase
2.74,6.93,-9.46,1,5,0, 395.278, 5

Similar to: 2144194,
8613381
 
#21

eMolecules: 16105923
Molport: MolPort-007-690-931
AKOS: AKOS001521086
Mcule: MCULE-4550243068
Synthon-Lab: SL090602...13 total

ref: mol2, SDF, SMILES, flexibase
2.39,4.91,-11.17,2,6,0, 336.395, 6

Similar to: 8613682,
8613389
 
#22

eMolecules: 16105937
Molport: MolPort-007-690-938
AKOS: AKOS001521197
Mcule: MCULE-5424993957
Synthon-Lab: SL090601...12 total

ref: mol2, SDF, SMILES, flexibase
3.77,8.13,-11.65,2,6,0, 412.493, 7

Similar to: 8613684,
48512728
 
#23

AKOS: AKOS005068473
Synthon-Lab: SL090600
PubChem: 50852852
ref: mol2, SDF, SMILES, flexibase
0.82,-0.55,-10.66,3,7,0, 304.35, 6
48512725
 
#24

AKOS: AKOS005068473
Synthon-Lab: SL090600
PubChem: 50852852
ref: mol2, SDF, SMILES, flexibase
0.82,-0.6,-10.75,3,7,0, 304.35, 6
21172612
 
#25

eMolecules: 16105931
Molport: MolPort-007-690-935
AKOS: AKOS001521144
Mcule: MCULE-1546444991
Synthon-Lab: SL090599...9 total

ref: mol2, SDF, SMILES, flexibase
2.96,5.1,-12.18,2,6,0, 340.427, 6
8613399
 
#26

eMolecules: 16105949
Molport: MolPort-007-690-944
AKOS: AKOS001521256
Mcule: MCULE-5315798853
Synthon-Lab: SL090598...13 total

ref: mol2, SDF, SMILES, flexibase
3.18,6.47,-11.57,2,6,0, 364.449, 8

Similar to: 8613722,
21172663
 
#27

eMolecules: 16105961
Molport: MolPort-007-690-953
AKOS: AKOS001520857
Mcule: MCULE-9699200839
Synthon-Lab: SL090597...9 total

ref: mol2, SDF, SMILES, flexibase
0.57,0.15,-13.15,2,7,0, 290.323, 6
21172642
 
#28

eMolecules: 16105955
Molport: MolPort-007-690-947
AKOS: AKOS001521286
Mcule: MCULE-7627533666
Synthon-Lab: SL090596...9 total

ref: mol2, SDF, SMILES, flexibase
1.99,3.29,-12.05,2,6,0, 300.362, 4
21172537
 
#29

eMolecules: 16105909
Molport: MolPort-007-690-924
AKOS: AKOS001520998
Mcule: MCULE-9423936459
Synthon-Lab: SL090595...9 total

ref: mol2, SDF, SMILES, flexibase
1.23,1.65,-12,2,6,0, 272.308, 5
21172542
 
#30

eMolecules: 16105911
Molport: MolPort-007-690-925
AKOS: AKOS001521026
Mcule: MCULE-9765249896
Synthon-Lab: SL090594...11 total

ref: mol2, SDF, SMILES, flexibase
1.71,2.61,-11.79,2,6,0, 288.351, 5
21172656
 
#31

eMolecules: 16105959
Molport: MolPort-007-690-950
AKOS: AKOS001520826
Mcule: MCULE-8384274020
Synthon-Lab: SL090593...11 total

ref: mol2, SDF, SMILES, flexibase
1.46,1.84,-12.11,2,6,0, 274.324, 5
21172549
 
#32

eMolecules: 16105913
Molport: MolPort-007-690-926
AKOS: AKOS001521027
Mcule: MCULE-4470897554
Synthon-Lab: SL090592...9 total

ref: mol2, SDF, SMILES, flexibase
2.02,2.62,-11.95,2,6,0, 288.351, 6
21783304
 
#33

eMolecules: 27062585
Molport: MolPort-007-690-958
AKOS: AKOS001520885
Mcule: MCULE-5568393499
Synthon-Lab: SL090591...9 total

ref: mol2, SDF, SMILES, flexibase
0.95,2.02,-12.36,2,6,0, 272.308, 4
21783297
 
#34

eMolecules: 23788642
Molport: MolPort-007-690-951
AKOS: AKOS001520827
Mcule: MCULE-6812437019
Synthon-Lab: SL090590...11 total

ref: mol2, SDF, SMILES, flexibase
0.96,1.09,-12.31,2,6,0, 260.297, 4
8613427
 
#35

eMolecules: 16105971
Molport: MolPort-007-690-959
AKOS: AKOS001520912
Mcule: MCULE-8018118328
Synthon-Lab: SL090589...14 total

ref: mol2, SDF, SMILES, flexibase
1.88,3.25,-10.11,2,6,0, 328.397, 5
8613395
 
#36

eMolecules: 16105939
Molport: MolPort-007-690-939
AKOS: AKOS001914261
Mcule: MCULE-9790321425
Synthon-Lab: SL090588...12 total

ref: mol2, SDF, SMILES, flexibase
0.75,2.35,-11.57,2,7,0, 323.356, 5
lo: mol2, SDF, SMILES, flexibase
0.75,2.81,-43.02,3,7,1, 324.364, 5
21172617
 
#37

eMolecules: 16105933
Molport: MolPort-007-690-936
AKOS: AKOS001521170
Mcule: MCULE-8030827963
Synthon-Lab: SL090587...11 total

ref: mol2, SDF, SMILES, flexibase
1.87,2.79,-12.66,2,8,0, 366.377, 5
mid: mol2, SDF, SMILES, flexibase
1.94,1.64,-45.96,3,8,1, 367.385, 5
21172576
 
#38

eMolecules: 16105919
Molport: MolPort-007-690-929
AKOS: AKOS001521056
Mcule: MCULE-9218277026
Synthon-Lab: SL090586...11 total

ref: mol2, SDF, SMILES, flexibase
2.66,4.6,-11.83,2,6,0, 356.813, 5
8613396
 
#39

eMolecules: 16105945
Molport: MolPort-007-690-942
AKOS: AKOS001521227
Mcule: MCULE-4161104319
Synthon-Lab: SL090585...13 total

ref: mol2, SDF, SMILES, flexibase
0.81,2.29,-12.42,2,7,0, 323.356, 5
lo: mol2, SDF, SMILES, flexibase
0.81,2.69,-40.25,3,7,1, 324.364, 5
21172687
 
#40

eMolecules: 16105967
Molport: MolPort-007-690-956
AKOS: AKOS001520858
Mcule: MCULE-9354862563
Synthon-Lab: SL090584...11 total

ref: mol2, SDF, SMILES, flexibase
1.99,3.47,-13.65,2,7,0, 352.394, 6
21172596
 
#41

eMolecules: 16105927
Molport: MolPort-007-690-933
AKOS: AKOS001521116
Mcule: MCULE-5909896969
Synthon-Lab: SL090583...11 total

ref: mol2, SDF, SMILES, flexibase
2.43,4.75,-11.89,2,6,0, 336.395, 5
21172604
 
#42

eMolecules: 16105929
Molport: MolPort-007-690-934
AKOS: AKOS001521143
Mcule: MCULE-1056882745
Synthon-Lab: SL090582...9 total

ref: mol2, SDF, SMILES, flexibase
2.04,3.4,-13.11,2,7,0, 352.394, 6
21172692
 
#43

eMolecules: 16105969
Molport: MolPort-007-690-957
AKOS: AKOS001520884
Mcule: MCULE-1721285177
Synthon-Lab: SL090581...9 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.15,-12.37,2,6,0, 340.358, 5
21172635
 
#44

eMolecules: 16105953
Molport: MolPort-007-690-946
AKOS: AKOS001521257
Mcule: MCULE-3269535194
Synthon-Lab: SL090580...11 total

ref: mol2, SDF, SMILES, flexibase
2.61,4.52,-12.8,2,6,0, 356.813, 5
21172583
 
#45

eMolecules: 16105921
Molport: MolPort-007-690-930
AKOS: AKOS001521085
Mcule: MCULE-5204659292
Synthon-Lab: SL090579...9 total

ref: mol2, SDF, SMILES, flexibase
1.98,4.08,-11.89,2,6,0, 322.368, 5
21172725
 
#46

eMolecules: 16105983
Molport: MolPort-007-690-965
AKOS: AKOS001520941
Mcule: MCULE-3378358505
Synthon-Lab: SL090578...11 total

ref: mol2, SDF, SMILES, flexibase
3.22,5.46,-12.11,2,6,0, 370.84, 5

Similar to: 14388273, 14388275, 8613739, 8613741, ... 4 in total.
21172731
 
#47

eMolecules: 16105983
Molport: MolPort-007-690-965
AKOS: AKOS001520941
Mcule: MCULE-3378358505
Synthon-Lab: SL090578...11 total

ref: mol2, SDF, SMILES, flexibase
3.22,5.46,-12.11,2,6,0, 370.84, 5

Similar to: 14388273, 14388275, 8613739, 8613741, ... 4 in total.
21172623
 
#48

eMolecules: 16105935
Molport: MolPort-007-690-937
AKOS: AKOS001521171
Mcule: MCULE-7410611452
Synthon-Lab: SL090577...11 total

ref: mol2, SDF, SMILES, flexibase
2.90,5.52,-11.69,2,6,0, 350.422, 6
21172705
 
#49

eMolecules: 16105979
Molport: MolPort-007-690-963
AKOS: AKOS001520913
Mcule: MCULE-9024019310
Synthon-Lab: SL090576...12 total

ref: mol2, SDF, SMILES, flexibase
2.02,3.4,-13.31,2,7,0, 352.394, 6
20869315
 
#50

eMolecules: 16106033
Molport: MolPort-007-690-994
AKOS: AKOS001521200
Mcule: MCULE-1630269141
Synthon-Lab: SL090575...9 total

ref: mol2, SDF, SMILES, flexibase
0.55,-1.39,-13.15,3,7,0, 310.741, 5

Similar to: 20869319,
20869319
 
#51

eMolecules: 16106033
Molport: MolPort-007-690-994
AKOS: AKOS001521200
Mcule: MCULE-1630269141
Synthon-Lab: SL090575...9 total

ref: mol2, SDF, SMILES, flexibase
0.55,-1.48,-13.17,3,7,0, 310.741, 5

Similar to: 20869315,
20869307
 
#52

eMolecules: 16106023
Molport: MolPort-007-690-989
AKOS: AKOS001521146
Mcule: MCULE-2947681129
Synthon-Lab: SL090574...9 total

ref: mol2, SDF, SMILES, flexibase
0.18,-2.4,-13.94,3,7,0, 296.714, 5
8613472
 
#53

eMolecules: 16106039
Molport: MolPort-007-690-997
AKOS: AKOS001521258
Mcule: MCULE-2618424923
Synthon-Lab: SL090573...11 total

ref: mol2, SDF, SMILES, flexibase
0.45,-1.6,-10.2,3,7,0, 310.741, 6
21783329
 
#54

eMolecules: 13740377
Molport: MolPort-004-970-628
AKOS: AKOS004918009
Mcule: MCULE-7566452961
Synthon-Lab: SL090572...9 total

ref: mol2, SDF, SMILES, flexibase
1.19,1.24,-11.21,2,7,0, 336.779, 5

Similar to: 21783270, 21783275, 21783325,
21783325
 
#55

eMolecules: 13740377
Molport: MolPort-004-970-628
AKOS: AKOS004918009
Mcule: MCULE-7566452961
Synthon-Lab: SL090572...9 total

ref: mol2, SDF, SMILES, flexibase
1.19,1.2,-11.58,2,7,0, 336.779, 5

Similar to: 21783329, 21783270, 21783275,
21172819
 
#56

eMolecules: 16106079
Molport: MolPort-007-691-020
AKOS: AKOS001521031
Mcule: MCULE-6504195039
Synthon-Lab: SL090571...11 total

ref: mol2, SDF, SMILES, flexibase
1.45,1.74,-11.34,2,7,0, 338.795, 8

Similar to: 21779988,
21172797
 
#57

eMolecules: 16106069
Molport: MolPort-007-691-014
AKOS: AKOS001521001
Mcule: MCULE-5501918551
Synthon-Lab: SL090570...11 total

ref: mol2, SDF, SMILES, flexibase
1.07,0.76,-11.43,2,7,0, 324.768, 7

Similar to: 21779988,
21172750
 
#58

eMolecules: 16106029
Molport: MolPort-007-690-992
AKOS: AKOS001521199
Mcule: MCULE-4499590200
Synthon-Lab: SL090569...11 total

ref: mol2, SDF, SMILES, flexibase
2.25,2.48,-10.63,2,6,0, 308.769, 6
21783345
 
#59

eMolecules: 23788654
Molport: MolPort-007-691-017
AKOS: AKOS005068477, AKOS001911096
Mcule: MCULE-8659578736
Synthon-Lab: SL090568...11 total

ref: mol2, SDF, SMILES, flexibase
1.18,1.88,-10.92,2,6,0, 292.726, 4
21783338
 
#60

eMolecules: 23788652
Molport: MolPort-007-691-011
AKOS: AKOS001520971
Mcule: MCULE-4027645981
Synthon-Lab: SL090567...11 total

ref: mol2, SDF, SMILES, flexibase
1.19,0.95,-10.87,2,6,0, 280.715, 4
21149051
 
#61

eMolecules: 16106049
Molport: MolPort-007-691-002
AKOS: AKOS001520860
Mcule: MCULE-8359888673
Synthon-Lab: SL090566...11 total

ref: mol2, SDF, SMILES, flexibase
4.00,7.95,-12.43,2,6,0, 432.911, 7

Similar to: 25077659,
48512722
 
#62

AKOS: AKOS005068474
Synthon-Lab: SL090565
PubChem: 50852853
ref: mol2, SDF, SMILES, flexibase
3.14,5.53,-9.67,2,6,0, 370.84, 7
21149045
 
#63

eMolecules: 16106037
Molport: MolPort-007-690-996
AKOS: AKOS001521230
Mcule: MCULE-2768136049
Synthon-Lab: SL090564...11 total

ref: mol2, SDF, SMILES, flexibase
2.62,4.73,-12.18,2,6,0, 356.813, 6

Similar to: 25077659,
21172773
 
#64

eMolecules: 16106047
Molport: MolPort-007-691-001
AKOS: AKOS001520859
Mcule: MCULE-3373495157
Synthon-Lab: SL090563...9 total

ref: mol2, SDF, SMILES, flexibase
3.13,5.38,-10.28,2,6,0, 370.84, 6
20869336
 
#65

eMolecules: 16106075
Molport: MolPort-007-691-018
AKOS: AKOS001521030
Mcule: MCULE-2006290436
Synthon-Lab: SL090562...9 total

ref: mol2, SDF, SMILES, flexibase
2.11,3.07,-10.32,2,6,0, 348.815, 5

Similar to: 25472976, 25522545,
21149047
 
#66

eMolecules: 13740375
Molport: MolPort-004-970-627
AKOS: AKOS001521259
Mcule: MCULE-3954068854
Synthon-Lab: SL090561...10 total

ref: mol2, SDF, SMILES, flexibase
2.27,3.26,-11.8,2,7,0, 372.812, 6
21172768
 
#67

eMolecules: 16106045
Molport: MolPort-007-691-000
AKOS: AKOS001520829
Mcule: MCULE-3508263374
Synthon-Lab: SL090560...9 total

ref: mol2, SDF, SMILES, flexibase
2.10,2.64,-11.39,2,8,0, 386.795, 5
mid: mol2, SDF, SMILES, flexibase
2.17,1.48,-47.24,3,8,1, 387.803, 5
21149059
 
#68

eMolecules: 16106081
Molport: MolPort-007-691-021
AKOS: AKOS001521059
Mcule: MCULE-1336185765
Synthon-Lab: SL090559...11 total

ref: mol2, SDF, SMILES, flexibase
2.25,3.26,-11.8,2,7,0, 372.812, 6
21172814
 
#69

eMolecules: 16106073
Molport: MolPort-007-691-016
AKOS: AKOS001521002
Mcule: MCULE-5232990657
Synthon-Lab: SL090558...11 total

ref: mol2, SDF, SMILES, flexibase
2.38,4.01,-11.1,2,6,0, 360.776, 5

Similar to: 26055144,
8613480
 
#70

eMolecules: 16106041
Molport: MolPort-007-690-998
AKOS: AKOS001914270
Mcule: MCULE-9141489636
Synthon-Lab: SL090557...12 total

ref: mol2, SDF, SMILES, flexibase
2.66,4.65,-8.65,2,6,0, 356.813, 5

Similar to: 21172763,
20869328
 
#71

eMolecules: 16106055
Molport: MolPort-007-691-005
AKOS: AKOS001520914
Mcule: MCULE-3974578111
Synthon-Lab: SL090556...9 total

ref: mol2, SDF, SMILES, flexibase
1.04,2.11,-12.25,2,7,0, 343.774, 5
lo: mol2, SDF, SMILES, flexibase
1.04,2.49,-43.19,3,7,1, 344.782, 5
48512719
 
#72

AKOS: AKOS005068466
Synthon-Lab: SL090555
PubChem: 50852848
ref: mol2, SDF, SMILES, flexibase
3.45,5.35,-8.96,2,6,0, 391.258, 5
48512716
 
#73

AKOS: AKOS005068466
Synthon-Lab: SL090555
PubChem: 50852848
ref: mol2, SDF, SMILES, flexibase
3.45,5.35,-8.96,2,6,0, 391.258, 5
21172763
 
#74

eMolecules: 16106035
Molport: MolPort-007-690-995
AKOS: AKOS001521229
Mcule: MCULE-4866774114
Synthon-Lab: SL090554...9 total

ref: mol2, SDF, SMILES, flexibase
2.21,3.94,-10.43,2,6,0, 342.786, 5

Similar to: 8613480,
21172868
 
#75

eMolecules: 16106147
Molport: MolPort-007-691-057
AKOS: AKOS001912008
Mcule: MCULE-2691379596
Synthon-Lab: SL090553...8 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-2.12,-13.54,3,7,0, 294.286, 6

Similar to: 21783359,
21172911
 
#76

eMolecules: 16106167
Molport: MolPort-007-691-069
AKOS: AKOS001521003
Mcule: MCULE-3921421800
Synthon-Lab: SL090552...9 total

ref: mol2, SDF, SMILES, flexibase
0.56,0.31,-11.78,2,7,0, 308.313, 7

Similar to: 21783359,
48512713
 
#77

AKOS: AKOS005068461
Synthon-Lab: SL090551
PubChem: 50852845
ref: mol2, SDF, SMILES, flexibase
1.70,2.7,-8.64,2,6,0, 304.325, 4
21172898
 
#78

eMolecules: 16106163
Molport: MolPort-007-691-066
AKOS: AKOS001912235
Mcule: MCULE-8036729458
Synthon-Lab: SL090550...8 total

ref: mol2, SDF, SMILES, flexibase
1.18,1.24,-10.99,2,6,0, 278.287, 5

Similar to: 21783359,
21172841
 
#79

eMolecules: 16106133
Molport: MolPort-007-691-050
AKOS: AKOS001911892
Mcule: MCULE-6439432377
Synthon-Lab: SL090549...10 total

ref: mol2, SDF, SMILES, flexibase
1.42,2.02,-10.68,2,6,0, 292.314, 5

Similar to: 21783359,
21149099
 
#80

eMolecules: 16106155
Molport: MolPort-007-691-061
AKOS: AKOS001520945
Mcule: MCULE-3383033810
Synthon-Lab: SL090548...9 total

ref: mol2, SDF, SMILES, flexibase
3.49,7.5,-12.74,2,6,0, 416.456, 7
8613544
 
#81

eMolecules: 16106145
Molport: MolPort-007-691-056
AKOS: AKOS001520889
Mcule: MCULE-8507683530
Synthon-Lab: SL090547...13 total

ref: mol2, SDF, SMILES, flexibase
2.10,4.3,-10.19,2,6,0, 340.358, 6
21172853
 
#82

eMolecules: 16106137
Molport: MolPort-007-691-052
AKOS: AKOS001911893
Mcule: MCULE-7296743330
Synthon-Lab: SL090546...10 total

ref: mol2, SDF, SMILES, flexibase
1.95,2.55,-10.85,2,6,0, 306.341, 6
20869355
 
#83

eMolecules: 16106129
Molport: MolPort-007-691-048
AKOS: AKOS001520831
Mcule: MCULE-1866225506
Synthon-Lab: SL090545...9 total

ref: mol2, SDF, SMILES, flexibase
-0.33,-2.86,-14.2,3,7,0, 280.259, 5
20869358
 
#84

eMolecules: 16106131
Molport: MolPort-007-691-049
AKOS: AKOS001911779
Mcule: MCULE-8901643819
Synthon-Lab: SL090544...10 total

ref: mol2, SDF, SMILES, flexibase
0.95,1.06,-10.91,2,6,0, 276.271, 5
21783352
 
#85

eMolecules: 23761604
Molport: MolPort-007-691-065
AKOS: AKOS001912121
Mcule: MCULE-5456900221
Synthon-Lab: SL090543...10 total

ref: mol2, SDF, SMILES, flexibase
0.30,-0.36,-11.81,2,6,0, 250.233, 3
21783356
 
#86

eMolecules: 23788660
Molport: MolPort-007-691-067
AKOS: AKOS001912236
Mcule: MCULE-8141692945
Synthon-Lab: SL090542...10 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.5,-11.23,2,6,0, 264.26, 4

Similar to: 21783359,
21172863
 
#87

eMolecules: 16106143
Molport: MolPort-007-691-055
AKOS: AKOS001520888
Mcule: MCULE-7534797213
Synthon-Lab: SL090541...9 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.49,-10.74,2,6,0, 326.331, 5
21172857
 
#88

eMolecules: 16106141
Molport: MolPort-007-691-054
AKOS: AKOS001520862
Mcule: MCULE-3660754155
Synthon-Lab: SL090540...11 total

ref: mol2, SDF, SMILES, flexibase
2.38,4.01,-10.89,2,6,0, 360.776, 5

Similar to: 26055144,
21172886
 
#89

eMolecules: 16106153
Molport: MolPort-007-691-060
AKOS: AKOS001520944
Mcule: MCULE-5195621909
Synthon-Lab: SL090539...11 total

ref: mol2, SDF, SMILES, flexibase
2.61,4.92,-10.58,2,6,0, 354.385, 6
21172880
 
#90

eMolecules: 16106151
Molport: MolPort-007-691-059
AKOS: AKOS001520917
Mcule: MCULE-2613544166
Synthon-Lab: SL090538...11 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.81,-12.01,2,7,0, 356.357, 6
20869368
 
#91

eMolecules: 16106159
Molport: MolPort-007-691-063
AKOS: AKOS001520972
Mcule: MCULE-6591621246
Synthon-Lab: SL090537...9 total

ref: mol2, SDF, SMILES, flexibase
0.53,1.66,-12.58,2,7,0, 327.319, 5
lo: mol2, SDF, SMILES, flexibase
0.53,2.04,-43.63,3,7,1, 328.327, 5
21172928
 
#92

eMolecules: 16106171
Molport: MolPort-007-691-071
AKOS: AKOS001521004
Mcule: MCULE-6914698194
Synthon-Lab: SL090536...11 total

ref: mol2, SDF, SMILES, flexibase
1.86,3.56,-11.43,2,6,0, 344.321, 5
21173009
 
#93

eMolecules: 16106295
Molport: MolPort-007-691-133
AKOS: AKOS001520918
Mcule: MCULE-7149540173
Synthon-Lab: SL090535...11 total

ref: mol2, SDF, SMILES, flexibase
1.70,2.42,-11.63,2,6,0, 286.335, 6
8613682
 
#94

eMolecules: 16106309
Molport: MolPort-007-691-140
AKOS: AKOS001910983
Mcule: MCULE-1601179198
Synthon-Lab: SL090534...12 total

ref: mol2, SDF, SMILES, flexibase
2.86,5.68,-10.81,2,6,0, 350.422, 7

Similar to: 8613381,
8613721
 
#95

eMolecules: 16106333
Molport: MolPort-007-691-152
AKOS: AKOS001521151
Mcule: MCULE-9148344547
Synthon-Lab: SL090533...13 total

ref: mol2, SDF, SMILES, flexibase
3.37,6.46,-10.71,2,6,0, 364.449, 8

Similar to: 8613397,
21173003
 
#96

eMolecules: 16106293
Molport: MolPort-007-691-132
AKOS: AKOS001520891
Mcule: MCULE-2077339212
Synthon-Lab: SL090532...11 total

ref: mol2, SDF, SMILES, flexibase
0.42,-1.49,-15.09,3,7,0, 290.323, 6
8613727
 
#97

eMolecules: 23788672
Molport: MolPort-007-691-157
AKOS: AKOS001521179
Mcule: MCULE-5534876590
Synthon-Lab: SL090531...13 total

ref: mol2, SDF, SMILES, flexibase
1.05,1.06,-10.29,2,6,0, 260.297, 4
8613680
 
#98

eMolecules: 16106299
Molport: MolPort-007-691-135
AKOS: AKOS001520946
Mcule: MCULE-1832495779
Synthon-Lab: SL090530...13 total

ref: mol2, SDF, SMILES, flexibase
2.49,3.43,-9.49,2,6,0, 302.378, 7
21173020
 
#99

eMolecules: 16106301
Molport: MolPort-007-691-136
AKOS: AKOS001520947
Mcule: MCULE-4442918224
Synthon-Lab: SL090529...11 total

ref: mol2, SDF, SMILES, flexibase
2.70,3.91,-11.59,2,6,0, 316.405, 7
21173159
 
#100

eMolecules: 16106361
Molport: MolPort-007-691-167
AKOS: AKOS001521236
Mcule: MCULE-5837867372
Synthon-Lab: SL090528...11 total

ref: mol2, SDF, SMILES, flexibase
1.42,2.8,-12.03,2,6,0, 286.335, 5

Old detail retrieval took 1 seconds.

start 0 size 100

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 = 165 ) limit 0,100

Smiles were