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
11783561
 
#1

eMolecules: 44851821
Molport: MolPort-005-030-982
ChemBridge: 21684889
Collaborative Drug Discovery: 594270
PubChem: 42163595...5 total

ref: mol2, SDF, SMILES, flexibase
2.13,1.88,-13.24,0,6,0, 344.411, 5
12041172
 
#2

eMolecules: 20434261
Molport: MolPort-005-016-673
ChemBridge: 16517790
Collaborative Drug Discovery: 588204
PubChem: 45178354...7 total

ref: mol2, SDF, SMILES, flexibase
4.06,-0.95,-45.66,2,4,1, 372.558, 4

Similar to: 12041175, 34661478, 38795700,
14878599
 
#3

eMolecules: 20441749
Molport: MolPort-005-020-046
ChemBridge: 17690479
Collaborative Drug Discovery: 589659
PubChem: 26274287...7 total

ref: mol2, SDF, SMILES, flexibase
3.64,11.24,-44.54,1,6,1, 457.664, 10
hi: mol2, SDF, SMILES, flexibase
3.64,8.84,-12.61,0,6,0, 456.656, 10
11783655
 
#4

eMolecules: 20466715
Molport: MolPort-005-031-102
ChemBridge: 21722933
Collaborative Drug Discovery: 594319
PubChem: 45185869...6 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.84,-16.58,0,8,0, 463.534, 5

Similar to: 11979885, 11979891, 12021045, 12021051, ... 4 in total.
11783644
 
#5

eMolecules: 20466685
Molport: MolPort-005-031-089
ChemBridge: 21719098
Collaborative Drug Discovery: 594314
Individual Suppliers: 181296186...7 total

ref: mol2, SDF, SMILES, flexibase
1.90,-0.47,-31.69,1,9,0, 466.469, 6
11788949
 
#6

eMolecules: 20429647
Molport: MolPort-005-014-661
ChemBridge: 15809911
Collaborative Drug Discovery: 587295
PubChem: 45177291...7 total

ref: mol2, SDF, SMILES, flexibase
3.37,-0.54,-33.96,1,6,1, 412.554, 7
12041183
 
#7

eMolecules: 25992015
Molport: MolPort-005-016-676
ChemBridge: 16518630
Collaborative Drug Discovery: 588207
PubChem: 42372131...7 total

ref: mol2, SDF, SMILES, flexibase
3.95,1.27,-60.47,2,8,1, 497.019, 11
11783761
 
#8

eMolecules: 20467021
Molport: MolPort-005-031-237
ChemBridge: 21765492
Collaborative Drug Discovery: 594364
Individual Suppliers: 5-[1-(cyclopentylacetyl)-4-piperidinyl]-5-(3-pyrid...8 total

ref: mol2, SDF, SMILES, flexibase
2.76,-1.7,-14.54,1,7,0, 466.607, 6
lo: mol2, SDF, SMILES, flexibase
2.76,-1.59,-56.56,2,7,1, 467.615, 6

Similar to: 12157833, 12157840, 12247603, 12247604, ... 4 in total.
11783660
 
#9

eMolecules: 20466729
Molport: MolPort-005-031-108
ChemBridge (Depleted): 21724356
Collaborative Drug Discovery: 594321
Individual Suppliers: 181296193...6 total

ref: mol2, SDF, SMILES, flexibase
1.87,-0.93,-21.84,1,7,0, 473.501, 5
20448643
 
#10

eMolecules: 20466801
Molport: MolPort-005-031-142
ChemBridge: 21732175
Collaborative Drug Discovery: 594334
PubChem: 28953118...7 total

ref: mol2, SDF, SMILES, flexibase
1.59,7.34,-25.72,1,8,0, 434.544, 7
11783672
 
#11

eMolecules: 20466755
Molport: MolPort-005-031-120
ChemBridge: 21726365
Collaborative Drug Discovery: 594327
Individual Suppliers: 181296199...7 total

ref: mol2, SDF, SMILES, flexibase
3.21,-0.68,-20.83,1,9,0, 469.501, 7
20449515
 
#12

eMolecules: 20468689
Molport: MolPort-005-031-992
ChemBridge (Depleted): 22057161
Collaborative Drug Discovery: 594682
PubChem: 28953631...8 total

ref: mol2, SDF, SMILES, flexibase
4.21,8.16,-9.79,1,6,0, 455.965, 6
14885902
 
#13

eMolecules: 20458275
Molport: MolPort-005-027-334
ChemBridge: 20310308
Collaborative Drug Discovery: 592754
PubChem: 45183898...8 total

ref: mol2, SDF, SMILES, flexibase
3.24,11.52,-24.62,0,5,0, 374.456, 6
14885896
 
#14

eMolecules: 20458275
Molport: MolPort-005-027-334
ChemBridge: 20310308
Collaborative Drug Discovery: 592754
PubChem: 45183898...8 total

ref: mol2, SDF, SMILES, flexibase
3.24,11.51,-23.25,0,5,0, 374.456, 6
20118293
 
#15

eMolecules: 2429054
Molport: MolPort-002-233-614
ChemBridge: 7012958
Mcule: MCULE-3874187509
ChemDB: 4413852...15 total

ref: mol2, SDF, SMILES, flexibase
1.02,1.46,-44.05,4,3,1, 260.155, 6
12099477
 
#16

eMolecules: 36564913
Molport: MolPort-005-007-303
ChemBridge: 13381705
Collaborative Drug Discovery: 584047
PubChem: 42407032...7 total

ref: mol2, SDF, SMILES, flexibase
2.93,-0.68,-18.44,2,6,0, 414.477, 9

Similar to: 12099476,
12041281
 
#17

eMolecules: 20434355
Molport: MolPort-005-016-714
ChemBridge: 16536854
Collaborative Drug Discovery: 588226
PubChem: 45178375...7 total

ref: mol2, SDF, SMILES, flexibase
1.89,0.89,-71.59,2,10,1, 496.588, 10

Similar to: 12041286,
12041673
 
#18

eMolecules: 20434623
Molport: MolPort-005-016-827
ChemBridge: 16580589
Collaborative Drug Discovery: 588285
PubChem: 45178432...7 total

ref: mol2, SDF, SMILES, flexibase
3.38,-0.49,-46.04,2,6,1, 425.597, 7

Similar to: 12041677,
20449550
 
#19

eMolecules: 20468731
Molport: MolPort-005-032-014
ChemBridge: 22065027
Collaborative Drug Discovery: 594689
Individual Suppliers: 181296586...7 total

ref: mol2, SDF, SMILES, flexibase
3.80,10.07,-24.51,1,7,0, 464.639, 7
11784434
 
#20

eMolecules: 20468717
Molport: MolPort-005-032-007
ChemBridge: 22062574
Collaborative Drug Discovery: 594685
PubChem: 45186372...6 total

ref: mol2, SDF, SMILES, flexibase
2.88,3.03,-20.87,0,7,0, 452.599, 9
11786917
 
#21

eMolecules: 20425273
Molport: MolPort-005-012-735
ChemBridge: 15158620
Collaborative Drug Discovery: 586446
PubChem: 45176286...7 total

ref: mol2, SDF, SMILES, flexibase
3.70,1.65,-52.3,2,7,1, 462.618, 8
11813145
 
#22

eMolecules: 20469565
Molport: MolPort-005-032-379
ChemBridge (Depleted): 22200906
Collaborative Drug Discovery: 594838
Individual Suppliers: 181297741...7 total

ref: mol2, SDF, SMILES, flexibase
3.85,0,-17.83,1,8,0, 469.545, 6
11784447
 
#23

eMolecules: 20468753
Molport: MolPort-005-032-024
ChemBridge: 22068076
Collaborative Drug Discovery: 594692
PubChem: 45186379...7 total

ref: mol2, SDF, SMILES, flexibase
2.65,-0.58,-25.01,2,8,0, 440.507, 7
11783732
 
#24

eMolecules: 20466931
Molport: MolPort-005-031-200
ChemBridge: 21754024
Collaborative Drug Discovery: 594353
PubChem: 42163784...6 total

ref: mol2, SDF, SMILES, flexibase
1.51,-1.74,-19.15,1,8,0, 447.539, 6
lo: mol2, SDF, SMILES, flexibase
1.51,-1.67,-57.95,2,8,1, 448.547, 6
55073419
 
#25

eMolecules: 20469261
Molport: MolPort-005-032-249
ChemBridge: 22148988
Collaborative Drug Discovery: 594791
PubChem: 42189254...7 total

ref: mol2, SDF, SMILES, flexibase
3.48,10.31,-16.39,0,5,0, 386.496, 9
11783745
 
#26

eMolecules: 20466973
Molport: MolPort-005-031-216
ChemBridge: 21760271
Collaborative Drug Discovery: 594360
PubChem: 45185933...7 total

ref: mol2, SDF, SMILES, flexibase
1.50,-3.49,-31.69,3,9,0, 442.447, 10
11783762
 
#27

eMolecules: 20467021
Molport: MolPort-005-031-237
ChemBridge: 21765492
Collaborative Drug Discovery: 594364
PubChem: 45185945...7 total

ref: mol2, SDF, SMILES, flexibase
2.76,-1.5,-12.43,1,7,0, 466.607, 6
lo: mol2, SDF, SMILES, flexibase
2.76,-1.38,-47.85,2,7,1, 467.615, 6

Similar to: 12157833, 12157840, 12247603, 12247604, ... 4 in total.
3003351
 
#28

eMolecules: 25940364
Molport: MolPort-001-000-604
AKOS: AKOS000109341
ChemBridge: 7013042
Mcule: MCULE-4436737388...19 total

ref: mol2, SDF, SMILES, flexibase
3.20,-1.75,-77.71,2,5,-1, 359.814, 6
3003352
 
#29

eMolecules: 2186184
Molport: MolPort-002-233-626
ChemBridge: 7013065
Mcule: MCULE-5362491008
ChEMBL12: CHEMBL1483667...15 total

ref: mol2, SDF, SMILES, flexibase
3.12,7.67,-43.54,2,3,1, 266.405, 11

Similar to: 45617124, 45617128, 45617137, 45617138, ... 4 in total.
12052753
 
#30

eMolecules: 20405070
ChemBridge (Depleted): 12317816
Collaborative Drug Discovery: 582473
PubChem: 42379220, 45171582
Ambinter: Amb10983828...6 total

ref: mol2, SDF, SMILES, flexibase
3.50,-0.16,-17.54,1,6,0, 438.568, 8

Similar to: 12052756, 12052747, 12052751,
3003355
 
#31

eMolecules: 2429061
Molport: MolPort-002-233-630
ChemBridge: 7013086
Mcule: MCULE-1639765963
ChemDB: 4235677...14 total

ref: mol2, SDF, SMILES, flexibase
3.10,0.28,-40.84,2,3,1, 266.405, 9

Similar to: 41685472,
4165448
 
#32

Collaborative Drug Discovery: 15353
Individual Suppliers: UNNAMED00000250
MicroSource Spectrum: 00380004
PubChem: 51400332, 6708713
SMDC MicroSource: 131575...6 total

ref: mol2, SDF, SMILES, flexibase
5.72,6.82,-68.02,0,6,-1, 535.701, 5

Similar to: 8681498, 13783762, 29544972,
59907627
 
#33

Collaborative Drug Discovery: 63295
ref: mol2, SDF, SMILES, flexibase
-0.11,5.28,-60.52,3,10,-1, 451.459, 11
59907621
 
#34

Collaborative Drug Discovery: 63294
ref: mol2, SDF, SMILES, flexibase
0.00,6.19,-66.36,4,9,-1, 438.46, 11
55074263
 
#35

eMolecules: 20472449
Molport: MolPort-005-033-679
ChemBridge: 22706138
Collaborative Drug Discovery: 595340
PubChem: 45187222...8 total

ref: mol2, SDF, SMILES, flexibase
4.47,11.5,-14.6,0,6,0, 459.015, 9

Similar to: 11814655, 11814658,
11814932
 
#36

eMolecules: 20472917
Molport: MolPort-005-033-885
ChemBridge (Depleted): 22789621
Collaborative Drug Discovery: 595423
PubChem: 45187323...7 total

ref: mol2, SDF, SMILES, flexibase
2.73,1.42,-19.84,0,8,0, 485.54, 5

Similar to: 11814934, 11814936, 11814930,
11814934
 
#37

eMolecules: 20472917
Molport: MolPort-005-033-885
ChemBridge (Depleted): 22789621
Collaborative Drug Discovery: 595423
PubChem: 45187323...7 total

ref: mol2, SDF, SMILES, flexibase
2.73,1.42,-21.72,0,8,0, 485.54, 5

Similar to: 11814936, 11814930, 11814932,
11814936
 
#38

eMolecules: 20472917
Molport: MolPort-005-033-885
ChemBridge (Depleted): 22789621
Collaborative Drug Discovery: 595423
PubChem: 45187323...7 total

ref: mol2, SDF, SMILES, flexibase
2.73,1.45,-21.06,0,8,0, 485.54, 5

Similar to: 11814930, 11814932, 11814934,
23192065
 
#39

Collaborative Drug Discovery: 595421
PubChem: 45187316, 30897492
ref: mol2, SDF, SMILES, flexibase
3.75,12.01,-15.34,0,6,0, 403.511, 3
23192062
 
#40

Collaborative Drug Discovery: 595421
PubChem: 45187316, 30897489
ref: mol2, SDF, SMILES, flexibase
3.75,12.05,-12.86,0,6,0, 403.511, 3
11814911
 
#41

Collaborative Drug Discovery: 595419
PubChem: 42191534
ref: mol2, SDF, SMILES, flexibase
2.95,-0.58,-12.04,1,5,0, 376.482, 6
11814900
 
#42

Collaborative Drug Discovery: 595417
PubChem: 42191519, 45187313
SMDC ChBr Premium: 730766
ref: mol2, SDF, SMILES, flexibase
2.95,2.98,-16.22,0,5,0, 378.472, 6

Similar to: 11814901, 12158362, 12158367, 12281144, 12281145, ... 5 in total.
11814901
 
#43

Collaborative Drug Discovery: 595417
PubChem: 42191520, 45187313
SMDC ChBr Premium: 730766
ref: mol2, SDF, SMILES, flexibase
2.95,2.97,-16.27,0,5,0, 378.472, 6

Similar to: 12158362, 12158367, 12281144, 12281145, ... 5 in total.
11814898
 
#44

Collaborative Drug Discovery: 595416
PubChem: 42191517, 45187312
ref: mol2, SDF, SMILES, flexibase
1.89,0.43,-27.74,0,6,0, 365.433, 3

Similar to: 11814897,
11814897
 
#45

Collaborative Drug Discovery: 595416
PubChem: 42191516, 45187312
ref: mol2, SDF, SMILES, flexibase
1.89,0.34,-23.04,0,6,0, 365.433, 3

Similar to: 11814898,
11814896
 
#46

eMolecules: 20472867
Molport: MolPort-005-033-864
ChemBridge: 22780360
Collaborative Drug Discovery: 595415
PubChem: 42191515...6 total

ref: mol2, SDF, SMILES, flexibase
2.09,1.13,-12.53,0,4,0, 288.391, 2

Similar to: 15008400, 23642721,
11814893
 
#47

eMolecules: 20472853
Molport: MolPort-005-033-858
ChemBridge: 22778779
Collaborative Drug Discovery: 595414
Individual Suppliers: N-ethyl-1-[4-methyl-7-(methylsulfonyl)-2-quinazoli...8 total

ref: mol2, SDF, SMILES, flexibase
2.44,-6.14,-23.74,0,8,0, 460.6, 6

Similar to: 12041689, 12041694, 11814891,
11785629
 
#48

eMolecules: 20472515
Molport: MolPort-005-033-712
ChemBridge: 22716117
Collaborative Drug Discovery: 595352
PubChem: 45187241...7 total

ref: mol2, SDF, SMILES, flexibase
2.36,-1.77,-24.04,2,7,0, 429.492, 11
lo: mol2, SDF, SMILES, flexibase
2.36,-1.66,-52.97,3,7,1, 430.5, 11
11814877
 
#49

eMolecules: 20472839
Molport: MolPort-005-033-852
ChemBridge (Depleted): 22775930
Collaborative Drug Discovery: 595410
PubChem: 45187304...7 total

ref: mol2, SDF, SMILES, flexibase
4.08,-0.23,-19.43,2,6,0, 444.531, 9

Similar to: 11814875,
11785658
 
#50

eMolecules: 20472751
Molport: MolPort-005-033-813
ChemBridge: 22760968
Collaborative Drug Discovery: 595391
PubChem: 45187290...7 total

ref: mol2, SDF, SMILES, flexibase
3.50,0.05,-14.05,0,6,0, 452.576, 9
lo: mol2, SDF, SMILES, flexibase
3.50,0.11,-38.9,1,6,1, 453.584, 9
11785657
 
#51

eMolecules: 20472751
Molport: MolPort-005-033-813
ChemBridge: 22760968
Collaborative Drug Discovery: 595391
PubChem: 45187290...7 total

ref: mol2, SDF, SMILES, flexibase
3.50,0.5,-15.72,0,6,0, 452.576, 9
lo: mol2, SDF, SMILES, flexibase
3.50,0.56,-45.22,1,6,1, 453.584, 9
11814609
 
#52

eMolecules: 20472329
Molport: MolPort-005-033-621
ChemBridge: 22683033
Collaborative Drug Discovery: 595320
PubChem: 45187194...7 total

ref: mol2, SDF, SMILES, flexibase
3.43,-0.76,-21.91,1,6,0, 498.62, 6

Similar to: 11814601, 11814604, 11814606,
20451081
 
#53

eMolecules: 20472689
Molport: MolPort-005-033-784
ChemBridge: 22747774
Collaborative Drug Discovery: 595382
PubChem: 28954706...8 total

ref: mol2, SDF, SMILES, flexibase
4.38,11.18,-10.87,1,5,0, 471.051, 5

Similar to: 11814771, 11814773, 11814775, 11814777, ... 4 in total.
20451073
 
#54

eMolecules: 20472685
Molport: MolPort-005-033-782
ChemBridge: 22746862
Collaborative Drug Discovery: 595381
Individual Suppliers: 181298305...7 total

ref: mol2, SDF, SMILES, flexibase
3.07,10.64,-21.89,0,6,0, 451.611, 8

Similar to: 23337697, 11814769, 12247135,
11784546
 
#55

eMolecules: 20472675
Molport: MolPort-005-033-778
ChemBridge: 22745214
Collaborative Drug Discovery: 595379
PubChem: 45187272...7 total

ref: mol2, SDF, SMILES, flexibase
3.44,7.71,-22.12,3,7,0, 454.958, 9
11784547
 
#56

eMolecules: 20472675
Molport: MolPort-005-033-778
ChemBridge: 22745214
Collaborative Drug Discovery: 595379
PubChem: 45187272...7 total

ref: mol2, SDF, SMILES, flexibase
3.44,7.67,-24.44,3,7,0, 454.958, 9
39379686
 
#57

eMolecules: 20472651
Molport: MolPort-005-033-768
ChemBridge: 22740586
Collaborative Drug Discovery: 595376
PubChem: 51901652...7 total

ref: mol2, SDF, SMILES, flexibase
3.81,13.32,-21.9,0,7,0, 502.64, 7

Similar to: 39379683, 11785641, 11785642,
11814341
 
#58

eMolecules: 25995931
Molport: MolPort-005-033-376
ChemBridge: 22581826
Collaborative Drug Discovery: 595222
ref: mol2, SDF, SMILES, flexibase
2.98,-3.95,-20.06,2,8,0, 487.556, 5
11785599
 
#59

eMolecules: 20472105
Molport: MolPort-005-033-512
ChemBridge: 22644185
Collaborative Drug Discovery: 595281
PubChem: 45187139...7 total

ref: mol2, SDF, SMILES, flexibase
3.79,0.3,-20.67,1,8,0, 488.588, 7
11788818
 
#60

eMolecules: 20429261
Molport: MolPort-005-014-486
ChemBridge (Depleted): 15755289
Collaborative Drug Discovery: 587227
PubChem: 42169389...6 total

ref: mol2, SDF, SMILES, flexibase
4.42,-2.09,-16.38,2,6,0, 385.508, 9

Similar to: 11973041,
14887274
 
#61

eMolecules: 20459695
Molport: MolPort-005-027-958
ChemBridge: 20551087
Collaborative Drug Discovery: 593025
PubChem: 45184227...7 total

ref: mol2, SDF, SMILES, flexibase
4.34,13.5,-14.02,0,7,0, 509.606, 6
14889067
 
#62

eMolecules: 20462091
Molport: MolPort-005-028-998
ChemBridge: 20949619
Collaborative Drug Discovery: 593466
PubChem: 26282854...8 total

ref: mol2, SDF, SMILES, flexibase
5.11,11.47,-9.23,0,6,0, 464.569, 5
14887919
 
#63

eMolecules: 20460433
Molport: MolPort-005-028-283
ChemBridge (Depleted): 20665670
Collaborative Drug Discovery: 593166
PubChem: 26281887...7 total

ref: mol2, SDF, SMILES, flexibase
2.67,12.92,-15.5,0,7,0, 464.562, 11
613350
 
#64

ChemDB: 4492308
Collaborative Drug Discovery: 935780
PubChem: 972928
ref: mol2, SDF, SMILES, flexibase
3.05,-0.99,-13.91,2,4,0, 348.353, 5
1109224
 
#65

eMolecules: 949338
Molport: MolPort-002-264-401
ChemBridge: 7726317
Mcule: MCULE-5099343979
ChemDB: 4472139...10 total

ref: mol2, SDF, SMILES, flexibase
3.41,-1.07,-16.22,2,6,0, 402.45, 5
1109242
 
#66

eMolecules: 2231912
Molport: MolPort-002-264-406
ChemBridge: 7726405
Mcule: MCULE-1818196943
ChemDB: 4472158...9 total

ref: mol2, SDF, SMILES, flexibase
4.50,0.99,-14.45,1,5,0, 377.44, 8

Similar to: 6338467, 6372499, 6425552, 6434990, 7652370, ... 13 in total.
1183828
 
#67

eMolecules: 2164111
Molport: MolPort-002-212-462
Alinda: IBS-L0112242
ChemBridge: 6625555
IBScreen NP: STOCK1N-28433...12 total

ref: mol2, SDF, SMILES, flexibase
5.22,3.03,-15.95,0,5,0, 376.408, 5
59907609
 
#68

Collaborative Drug Discovery: 63293
ref: mol2, SDF, SMILES, flexibase
0.67,7.43,-59.67,3,8,-1, 425.461, 12
717415
 
#69

eMolecules: 1428912
Molport: MolPort-000-909-182
Scientific Exchange (make on demand): E-026121
AKOS: AKOS000580449
Asinex: BAS03364017...20 total

ref: mol2, SDF, SMILES, flexibase
2.03,2.46,-12.09,0,6,0, 363.435, 7

Similar to: 717416,
59907602
 
#70

Collaborative Drug Discovery: 63292
ref: mol2, SDF, SMILES, flexibase
0.64,7.79,-59.33,3,8,-1, 427.477, 13
1184509
 
#71

eMolecules: 2164729
Molport: MolPort-000-906-936
Scientific Exchange (make on demand): H-001712
AKOS: AKOS003291183
ChemBridge: 6629166...16 total

ref: mol2, SDF, SMILES, flexibase
4.70,12.68,-14.94,1,4,0, 427.591, 6

Similar to: 1184510, 1184507, 1184508,
59907598
 
#72

Collaborative Drug Discovery: 63291
ref: mol2, SDF, SMILES, flexibase
0.68,7.53,-59.67,3,8,-1, 427.477, 11
14887135
 
#73

eMolecules: 20459565
Molport: MolPort-005-027-897
ChemBridge: 20527965
Collaborative Drug Discovery: 592997
PubChem: 26281318...8 total

ref: mol2, SDF, SMILES, flexibase
2.60,5.86,-14.3,1,6,0, 429.586, 5
3000890
 
#74

eMolecules: 25939610
Molport: MolPort-002-232-464
AKOS: AKOS000356372
ChemBridge: 7004554
Mcule: MCULE-5377245811...14 total

ref: mol2, SDF, SMILES, flexibase
3.44,0.89,-8.06,0,4,0, 321.423, 6
16192854
 
#75

eMolecules: 25939602
Molport: MolPort-002-232-455
ChemBridge: 7004523
Mcule: MCULE-2065420010
ChemDB: 4412371...9 total

ref: mol2, SDF, SMILES, flexibase
5.38,14.33,-11.25,0,3,0, 435.545, 5
1157998
 
#76

eMolecules: 2182947
AKOS: AKOS001591164
ChemBridge: 6982585
ChemDiv: 1151-0304
Innovapharm: STT-00193985...15 total

ref: mol2, SDF, SMILES, flexibase
3.71,4.25,-31.72,1,5,0, 363.291, 4

Similar to: 15653895, 15918992,
14887211
 
#77

eMolecules: 20459631
Molport: MolPort-005-027-929
ChemBridge: 20537659
Collaborative Drug Discovery: 593013
PubChem: 45184212...7 total

ref: mol2, SDF, SMILES, flexibase
3.77,11.34,-19.85,1,6,0, 440.544, 8
14887009
 
#78

eMolecules: 20459427
Molport: MolPort-005-027-830
ChemBridge: 20502106
Collaborative Drug Discovery: 592969
PubChem: 45184160...7 total

ref: mol2, SDF, SMILES, flexibase
3.37,14.9,-20.82,0,6,0, 490.591, 6
19639553
 
#79

eMolecules: 1764744
Molport: MolPort-002-265-591
AKOS: AKOS000415590
ChemBridge: 7746285
Mcule: MCULE-7214853999...16 total

ref: mol2, SDF, SMILES, flexibase
2.89,8.59,-13.59,1,7,0, 443.96, 7

Similar to: 33701227, 34860264,
814635
 
#80

eMolecules: 1512243
Molport: MolPort-002-014-795
AKOS: AKOS000415610
ChemBridge: 7870944
Mcule: MCULE-4525134776...16 total

ref: mol2, SDF, SMILES, flexibase
3.53,-3.03,-10,3,6,0, 391.88, 5

Similar to: 12084535, 32117761,
458801
 
#81

eMolecules: 2166899
Molport: MolPort-002-214-793
Scientific Exchange (make on demand): Q-000391
AKOS: AKOS003709035
ChemBridge: 6645561...16 total

ref: mol2, SDF, SMILES, flexibase
3.31,9.09,-10.75,2,2,0, 274.364, 5

Similar to: 2784595,
11783489
 
#82

eMolecules: 20466235
Molport: MolPort-005-030-885
ChemBridge: 21649646
Collaborative Drug Discovery: 594234
PubChem: 45185755...7 total

ref: mol2, SDF, SMILES, flexibase
4.37,-0.43,-18.33,1,4,0, 440.584, 7
1142737
 
#83

eMolecules: 2167026
Molport: MolPort-002-214-969
ChemBridge: 6648391
Mcule: MCULE-7566320519
ChemDB: 4387746...9 total

ref: mol2, SDF, SMILES, flexibase
3.94,-1.12,-8.71,2,5,0, 367.243, 4
459046
 
#84

eMolecules: 2167287
AKOS: AKOS001084645
ChemBridge: 6652887
Enamine: Z57042487
Innovapharm: STT-00099177...16 total

ref: mol2, SDF, SMILES, flexibase
4.61,1.27,-10.8,0,2,0, 285.343, 3

Similar to: 3676451, 7274136, 8296894, 8297664, ... 4 in total.
1109858
 
#85

eMolecules: 1763036
Molport: MolPort-002-264-767
ChemBridge: 7731299
Mcule: MCULE-7055594667
AsisChem (Depleted): ACLSC-013950...11 total

ref: mol2, SDF, SMILES, flexibase
4.23,-4.24,-14.04,2,5,0, 394.924, 7

Similar to: 15600129, 19930541, 19930553, 19930730, 19930736, ... 5 in total.
11782262
 
#86

eMolecules: 20463073
Molport: MolPort-005-029-435
ChemBridge: 21119367
Collaborative Drug Discovery: 593635
PubChem: 45185018...7 total

ref: mol2, SDF, SMILES, flexibase
2.92,-1.14,-10.32,0,5,0, 365.477, 3
1158423
 
#87

eMolecules: 1714203
Molport: MolPort-000-998-964
AKOS: AKOS000109288
ChemBridge: 6990572
IBScreen: STOCK3S-57292...19 total

ref: mol2, SDF, SMILES, flexibase
1.90,-0.95,-60.48,2,8,-1, 389.409, 8
14883160
 
#88

Collaborative Drug Discovery: 592110
PubChem: 26279137, 45183039, 26279136
ref: mol2, SDF, SMILES, flexibase
1.78,4.22,-21.53,1,8,0, 451.618, 6
2845688
 
#89

eMolecules: 1801532
Molport: MolPort-001-580-122
Scientific Exchange (make on demand): M-232825
AKOS: AKOS003316182
ChemBridge: 7726341...18 total

ref: mol2, SDF, SMILES, flexibase
4.95,0.46,-14.86,1,4,0, 385.872, 6
1171986
 
#90

eMolecules: 2166668
Molport: MolPort-002-214-464
ChemBridge: 6640701
Mcule: MCULE-7602235704
ChemDB: 4387144...9 total

ref: mol2, SDF, SMILES, flexibase
4.99,1.28,-23.77,1,5,0, 391.789, 3
59907591
 
#91

Collaborative Drug Discovery: 63290
ref: mol2, SDF, SMILES, flexibase
0.66,7.44,-58.48,3,8,-1, 427.477, 11
458968
 
#92

eMolecules: 1654950
Molport: MolPort-002-087-722
ChemBridge: 6650290
Mcule: MCULE-4850350432
AsisChem (Depleted): ACLSC-128262...13 total

ref: mol2, SDF, SMILES, flexibase
3.30,9.43,-13.9,1,3,0, 347.187, 2

Similar to: 4838738,
14887143
 
#93

eMolecules: 20459569
Molport: MolPort-005-027-899
ChemBridge: 20528038
Collaborative Drug Discovery: 592998
PubChem: 26281322...7 total

ref: mol2, SDF, SMILES, flexibase
1.76,3.79,-20.39,1,8,0, 420.535, 6
1165089
 
#94

eMolecules: 2189772
Molport: MolPort-002-237-307
ChemBridge: 7106106
Mcule: MCULE-4767056386
ChemDB: 4419992...9 total

ref: mol2, SDF, SMILES, flexibase
4.75,-2.82,-17.96,2,7,0, 458.923, 8
hi: mol2, SDF, SMILES, flexibase
4.75,-2.24,-47.84,1,7,-1, 457.915, 8

Similar to: 10112358, 10112360, 15420348, 19932719, 19934712, ... 7 in total.
1163330
 
#95

eMolecules: 2432026
Scientific Exchange (make on demand): Q-014828
AKOS: AKOS003277262
ChemBridge: 7078470
IBScreen: STOCK2S-98116...17 total

ref: mol2, SDF, SMILES, flexibase
3.94,1.81,-45.26,0,8,-1, 380.119, 3
311094
 
#96

eMolecules: 25939614
Molport: MolPort-002-232-468
AKOS: AKOS000356197
ChemBridge: 7004566
Mcule: MCULE-8620863358...14 total

ref: mol2, SDF, SMILES, flexibase
3.33,0.9,-8.49,0,4,0, 323.439, 6
59907586
 
#97

Collaborative Drug Discovery: 63289
ref: mol2, SDF, SMILES, flexibase
1.49,7.68,-58.41,3,8,-1, 419.498, 16
1163652
 
#98

eMolecules: 25942688
Molport: MolPort-002-236-591
Mcule: MCULE-6924295098
Vitas-M: STL372414
ChemDB: 4418465...10 total

ref: mol2, SDF, SMILES, flexibase
1.94,-0.33,-13.68,1,6,0, 395.484, 4

Similar to: 1163653,
1055460
 
#99

eMolecules: 2042942
Molport: MolPort-001-610-045
Scientific Exchange (make on demand): M-754274
AKOS: AKOS001417813
Alinda: IVK/4006205...18 total

ref: mol2, SDF, SMILES, flexibase
2.45,0.32,-15,1,5,0, 307.371, 6

Similar to: 31971331, 31981644,
16213100
 
#100

eMolecules: 25943596
Molport: MolPort-002-237-386
ChemBridge: 7109510
Mcule: MCULE-3828925806
ChemDB: 4420196...10 total

ref: mol2, SDF, SMILES, flexibase
4.88,6.48,-55.04,0,5,-1, 454.471, 8

Old detail retrieval took 2 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 = 451 ) limit 0,100

Smiles were