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
19695372
 
#1

Asinex: BDE11111023
SMDC Asinex (building blocks): 755346
Ambinter: Amb20192217
ref: mol2, SDF, SMILES, flexibase
0.02,4.99,-12.22,0,4,0, 205.261, 1
19695399
 
#2

SMDC Asinex (building blocks): 755345
ref: mol2, SDF, SMILES, flexibase
0.60,5.42,-11.75,0,4,0, 219.288, 1
19695400
 
#3

SMDC Asinex (building blocks): 755345
ref: mol2, SDF, SMILES, flexibase
0.60,5.35,-11.39,0,4,0, 219.288, 1
13829262
 
#4

ChEMBL12: CHEMBL1417428
ChEMBL19: CHEMBL1417428
Collaborative Drug Discovery: 1476008
PubChem: 16725269
SMDC Asinex (building blocks): 755453...6 total

ref: mol2, SDF, SMILES, flexibase
3.08,7.85,-9.07,0,2,0, 222.671, 1
13108131
 
#5

BindingDB.org: 78354
ChEMBL12: CHEMBL1420946
ChEMBL19: CHEMBL1420946
Collaborative Drug Discovery: 279435
PubChem: 11229230...7 total

ref: mol2, SDF, SMILES, flexibase
2.40,7.28,-8.95,0,2,0, 188.226, 1

Similar to: 34428285, 34519214, 34884256, 34884258, ... 4 in total.
13829253
 
#6

ChEMBL12: CHEMBL1418419
ChEMBL19: CHEMBL1418419
Collaborative Drug Discovery: 1500639
PubChem: 11065778
SMDC Asinex (building blocks): 755451...6 total

ref: mol2, SDF, SMILES, flexibase
2.05,8.65,-13.33,1,4,0, 278.348, 7

Similar to: 34131763, 34131769, 34131771, 34543885, 34543887, ... 11 in total.
13829251
 
#7

ChEMBL12: CHEMBL1397355
ChEMBL19: CHEMBL1397355
Collaborative Drug Discovery: 1496435
PubChem: 16725265
SMDC Asinex (building blocks): 755450...6 total

ref: mol2, SDF, SMILES, flexibase
2.05,8.52,-13.6,1,4,0, 278.348, 7

Similar to: 34131763, 34131769, 34131771, 34543885, 34543887, ... 11 in total.
13829247
 
#8

ChEMBL12: CHEMBL1448311
ChEMBL19: CHEMBL1448311
Collaborative Drug Discovery: 1475322
PubChem: 16725263
SMDC Asinex (building blocks): 755449...6 total

ref: mol2, SDF, SMILES, flexibase
4.33,8.99,-9.55,0,2,0, 270.25, 2
13829240
 
#9

ChEMBL12: CHEMBL1569512
ChEMBL19: CHEMBL1569512
Collaborative Drug Discovery: 1504655
PubChem: 16725259
SMDC Asinex (building blocks): 755447...6 total

ref: mol2, SDF, SMILES, flexibase
2.22,9.29,-17.23,1,6,0, 336.384, 9

Similar to: 34376813, 34376815, 34376817, 34376819, 36467922, ... 6 in total.
13829185
 
#10

ChEMBL12: CHEMBL1708780
ChEMBL19: CHEMBL1708780
Collaborative Drug Discovery: 1454904, 255540
PubChem: 16725244
SMDC Asinex (building blocks): 755446...7 total

ref: mol2, SDF, SMILES, flexibase
1.38,3.59,-11.69,2,5,0, 358.36, 6
lo: mol2, SDF, SMILES, flexibase
1.38,3.98,-43.08,3,5,1, 359.368, 6
13829183
 
#11

ChEMBL12: CHEMBL1708780
ChEMBL19: CHEMBL1708780
Collaborative Drug Discovery: 1454904, 255540
PubChem: 16725244
SMDC Asinex (building blocks): 755446...7 total

ref: mol2, SDF, SMILES, flexibase
1.38,3.41,-7.12,2,5,0, 358.36, 6
lo: mol2, SDF, SMILES, flexibase
1.38,3.81,-37.84,3,5,1, 359.368, 6
13829100
 
#12

ChEMBL12: CHEMBL1393886
ChEMBL19: CHEMBL1393886
PubChem: 16725228
SMDC Asinex (building blocks): 755445
UPCMLD: 26681368...5 total

ref: mol2, SDF, SMILES, flexibase
3.31,8.95,-6.98,1,4,0, 371.399, 7
13829103
 
#13

ChEMBL12: CHEMBL1393886
ChEMBL19: CHEMBL1393886
PubChem: 16725228
SMDC Asinex (building blocks): 755445
UPCMLD: 26681368...5 total

ref: mol2, SDF, SMILES, flexibase
3.31,7.68,-5.69,1,4,0, 371.399, 7
13829092
 
#14

ChEMBL19: CHEMBL1884356
PubChem: 16725226
SMDC Asinex (building blocks): 755444
UPCMLD: 26681366
ref: mol2, SDF, SMILES, flexibase
3.32,9.13,-6.72,1,3,0, 327.346, 4
13829094
 
#15

ChEMBL19: CHEMBL1884356
PubChem: 16725226
SMDC Asinex (building blocks): 755444
UPCMLD: 26681366
ref: mol2, SDF, SMILES, flexibase
3.32,7.8,-4.82,1,3,0, 327.346, 4
13829015
 
#16

ChEMBL12: CHEMBL1486360
ChEMBL19: CHEMBL1486360
Collaborative Drug Discovery: 279631
PubChem: 16725198
SMDC Asinex (building blocks): 755443...6 total

ref: mol2, SDF, SMILES, flexibase
4.43,8.64,-4.35,1,4,0, 361.404, 7
13829011
 
#17

ChEMBL19: CHEMBL1878342
Collaborative Drug Discovery: 259143
PubChem: 16725196
SMDC Asinex (building blocks): 755442
UPCMLD: 26681336...5 total

ref: mol2, SDF, SMILES, flexibase
3.78,7.84,-4.84,1,4,0, 358.404, 7
lo: mol2, SDF, SMILES, flexibase
3.78,8.25,-37.23,2,4,1, 359.412, 7
13828973
 
#18

ChEMBL19: CHEMBL1886528
Collaborative Drug Discovery: 324502, 1498065
PubChem: 16725183
SMDC Asinex (building blocks): 755441
UPCMLD: 26681323...6 total

ref: mol2, SDF, SMILES, flexibase
3.42,7.6,-7.86,1,4,0, 356.388, 6
lo: mol2, SDF, SMILES, flexibase
3.42,8.01,-39.27,2,4,1, 357.396, 6
13828971
 
#19

ChEMBL19: CHEMBL1886528
Collaborative Drug Discovery: 324502, 1498065
PubChem: 16725183
SMDC Asinex (building blocks): 755441
UPCMLD: 26681323...6 total

ref: mol2, SDF, SMILES, flexibase
3.42,7.55,-4.55,1,4,0, 356.388, 6
lo: mol2, SDF, SMILES, flexibase
3.42,7.95,-35.76,2,4,1, 357.396, 6
36382186
 
#20

ChEMBL12: CHEMBL1416203
ChEMBL19: CHEMBL1416203
Collaborative Drug Discovery: 256022
PubChem: 11949129
SMDC Asinex (building blocks): 755438...7 total

ref: mol2, SDF, SMILES, flexibase
0.45,-2.36,-11.91,4,7,0, 405.369, 5

Similar to: 36378311, 34032026,
7992705
 
#21

ChEMBL12: CHEMBL1372077
ChEMBL19: CHEMBL1372077
Collaborative Drug Discovery: 303473, 1490092
PubChem: 5459649
SMDC Asinex (building blocks): 755429...7 total

ref: mol2, SDF, SMILES, flexibase
3.29,9.43,-15.39,1,4,0, 386.389, 6

Similar to: 7992704,
7992704
 
#22

ChEMBL12: CHEMBL1372077
ChEMBL19: CHEMBL1372077
Collaborative Drug Discovery: 303473, 1490092
PubChem: 5459649
SMDC Asinex (building blocks): 755429...7 total

ref: mol2, SDF, SMILES, flexibase
3.29,9.45,-15.63,1,4,0, 386.389, 6

Similar to: 7992705,
13828896
 
#23

ChEMBL19: CHEMBL1886374
Collaborative Drug Discovery: 258886
PubChem: 16725161
SMDC Asinex (building blocks): 755428
UPCMLD: 26681299...5 total

ref: mol2, SDF, SMILES, flexibase
2.44,8.67,-13.18,1,5,0, 310.353, 6

Similar to: 6145281, 6145316, 8607394, 8628763, 7991669, ... 5 in total.
13828892
 
#24

ChEMBL19: CHEMBL1902923
Collaborative Drug Discovery: 333606
PubChem: 70292966, 14187510, 11416197
SMDC Asinex (building blocks): 755427
SureChEMBL: SCHEMBL8168154...10 total

ref: mol2, SDF, SMILES, flexibase
3.64,5.83,-11.61,1,7,0, 328.409, 7

Similar to: 32218120, 32218121, 32218122, 32218123, 32218263, ... 24 in total.
6145316
 
#25

ChEMBL12: CHEMBL1491960
ChEMBL19: CHEMBL1491960
Collaborative Drug Discovery: 258832
PubChem: 3247347, 16725160
SMDC Asinex (building blocks): 755426...9 total

ref: mol2, SDF, SMILES, flexibase
2.44,8.17,-10.84,1,5,0, 310.353, 6

Similar to: 7991669, 8607394, 8628763, 13828894, 13828896, ... 6 in total.
6145280
 
#26

ChEMBL12: CHEMBL1526795
ChEMBL19: CHEMBL1526795
Collaborative Drug Discovery: 186739
PubChem: 3247333
SMDC Asinex (building blocks): 755425...7 total

ref: mol2, SDF, SMILES, flexibase
3.68,9.93,-10.58,1,4,0, 309.365, 6

Similar to: 6145314, 7991668,
5986475
 
#27

ChEMBL12: CHEMBL1430037
ChEMBL19: CHEMBL1430037
Collaborative Drug Discovery: 270129, 1457049
PubChem: 3247270
SMDC Asinex (building blocks): 755421...7 total

ref: mol2, SDF, SMILES, flexibase
2.20,6.74,-8.57,1,3,0, 254.333, 5
lo: mol2, SDF, SMILES, flexibase
2.20,7.14,-37.36,2,3,1, 255.341, 5

Similar to: 36778472, 44811462, 44811464, 44823199, 44823200, ... 7 in total.
5986418
 
#28

ChEMBL12: CHEMBL1430037
ChEMBL19: CHEMBL1430037
Collaborative Drug Discovery: 270129, 1457049
PubChem: 3247270
SMDC Asinex (building blocks): 755421...7 total

ref: mol2, SDF, SMILES, flexibase
2.20,6.74,-8.41,1,3,0, 254.333, 5
lo: mol2, SDF, SMILES, flexibase
2.20,7.14,-37.23,2,3,1, 255.341, 5

Similar to: 36778472, 44811462, 44811464, 44823199, 44823200, ... 7 in total.
6080096
 
#29

ChEMBL12: CHEMBL1337713
ChEMBL19: CHEMBL1337713
Collaborative Drug Discovery: 214880
PubChem: 3247268
SMDC Asinex (building blocks): 755420...6 total

ref: mol2, SDF, SMILES, flexibase
3.56,9.85,-13.19,2,6,0, 415.493, 9
lo: mol2, SDF, SMILES, flexibase
3.56,10.26,-42.74,3,6,1, 416.501, 9

Similar to: 7991661,
7992657
 
#30

ChEMBL12: CHEMBL1362225
ChEMBL19: CHEMBL1362225
Collaborative Drug Discovery: 187388
PubChem: 5461315
SMDC Asinex (building blocks): 755419...7 total

ref: mol2, SDF, SMILES, flexibase
3.33,7.84,-11.84,2,5,0, 338.407, 7

Similar to: 7992662, 8584182, 8584183, 8584184, 8632347, ... 7 in total.
19695371
 
#31

Asinex: BDE11111023
SMDC Asinex (building blocks): 755346
Ambinter: Amb20192217
ref: mol2, SDF, SMILES, flexibase
0.02,5,-12.57,0,4,0, 205.261, 1
19686322
 
#32

AKOS: AKOS012621540
Asinex: BBC27756250
Matrix Scientific: 068375
PubChem: 63317441
SMDC Asinex (building blocks): 755257...8 total

ref: mol2, SDF, SMILES, flexibase
0.59,4.4,-40.81,2,3,1, 192.286, 1
19686324
 
#33

AKOS: AKOS012621540
Asinex: BBC27756250
Matrix Scientific: 068375
PubChem: 63317441
SMDC Asinex (building blocks): 755257...8 total

ref: mol2, SDF, SMILES, flexibase
0.59,4.4,-40.79,2,3,1, 192.286, 1
59612852
 
#34

AKOS: AKOS015921677
Asinex: BBE27288279
Matrix Scientific: 068114
ChemDB: 7920769
PubChem: 23120459...8 total

ref: mol2, SDF, SMILES, flexibase
1.03,4.72,-42.54,2,2,1, 177.271, 1
lo: mol2, SDF, SMILES, flexibase
1.03,5.38,-90.27,3,2,2, 178.279, 1

Similar to: 38524907, 38524908, 38524909, 38524910, ... 4 in total.
19685980
 
#35

AKOS: AKOS015921460
Asinex: BBC22268306
Matrix Scientific: 067892
PubChem: 66509653
SMDC Asinex (building blocks): 755261...6 total

ref: mol2, SDF, SMILES, flexibase
0.68,2.93,-74.63,3,3,1, 193.27, 1
2383106
 
#36

ChemMol: 42307045, 30111049, 83603124, 44032854
eMolecules: 706545
Molport: MolPort-000-006-215
ACB Blocks: C5A-0004
Acros Organics: 44674...83 total

ref: mol2, SDF, SMILES, flexibase
0.91,3.6,-33.87,2,2,1, 149.217, 1
lo: mol2, SDF, SMILES, flexibase
0.91,3.91,-97.64,3,2,2, 150.225, 1

Similar to: 4234751, 6269611, 6269616, 6351103, 6351106, ... 12 in total.
4234751
 
#37

ChemMol: 42307045, 30111049, 83603124, 44032854
eMolecules: 706545
Molport: MolPort-000-006-215
ACB Blocks: C5A-0004
Acros Organics: 44674...85 total

ref: mol2, SDF, SMILES, flexibase
0.91,3.71,-34.31,2,2,1, 149.217, 1
lo: mol2, SDF, SMILES, flexibase
0.91,4.02,-97.19,3,2,2, 150.225, 1

Similar to: 6269611, 6269616, 6351103, 6351106, 6351126, ... 12 in total.
19686779
 
#38

AKOS: AKOS015922022
Asinex: BBE27755757
Matrix Scientific: 068151
PubChem: 66510128
SMDC Asinex (building blocks): 755263...5 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.33,-40.49,2,4,1, 193.274, 2
hi: mol2, SDF, SMILES, flexibase
0.84,2.33,-5.93,1,4,0, 192.266, 2
19686781
 
#39

AKOS: AKOS015922022
Asinex: BBE27755757
Matrix Scientific: 068151
PubChem: 66510128
SMDC Asinex (building blocks): 755263...5 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.64,-37.31,2,4,1, 193.274, 2
hi: mol2, SDF, SMILES, flexibase
0.84,2.26,-4.99,1,4,0, 192.266, 2
11631957
 
#40

AK Scientific: 0491AD
Asinex: BBC27288807
Matrix Scientific: 041088
Molport BB: MolPort-003-738-358
Tractus: TRA0119023...14 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.26,-37.21,2,2,1, 169.273, 1

Similar to: 11631958,
11631958
 
#41

AK Scientific: 0491AD
Asinex: BBC27288807
Matrix Scientific: 041088
Molport BB: MolPort-003-738-358
Tractus: TRA0119023...14 total

ref: mol2, SDF, SMILES, flexibase
0.97,3.24,-37.14,2,2,1, 169.273, 1

Similar to: 11631957,
19686643
 
#42

Molport BB: MolPort-039-061-737
SMDC Asinex (building blocks): 755265
ref: mol2, SDF, SMILES, flexibase
0.60,1.93,-38.7,3,4,1, 179.247, 2
19686645
 
#43

Molport BB: MolPort-039-061-737
SMDC Asinex (building blocks): 755265
ref: mol2, SDF, SMILES, flexibase
0.60,1.97,-38.51,3,4,1, 179.247, 2
19686824
 
#44

AKOS: AKOS015921874
Asinex: BBE28107810
Matrix Scientific: 068300
PubChem: 66510019
SMDC Asinex (building blocks): 755266...6 total

ref: mol2, SDF, SMILES, flexibase
1.19,4.08,-43.34,3,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.19,3.23,-27.61,3,4,1, 207.301, 2
lo: mol2, SDF, SMILES, flexibase
1.19,4.46,-100.9,4,4,2, 208.309, 2
19686826
 
#45

AKOS: AKOS015921874
Asinex: BBE28107810
Matrix Scientific: 068300
PubChem: 66510019
SMDC Asinex (building blocks): 755266...6 total

ref: mol2, SDF, SMILES, flexibase
1.19,3.77,-37.34,3,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.19,2.87,-27.26,3,4,1, 207.301, 2
lo: mol2, SDF, SMILES, flexibase
1.19,4.21,-101.42,4,4,2, 208.309, 2
6145307
 
#46

ChEMBL12: CHEMBL1396576
ChEMBL19: CHEMBL1396576, CHEMBL2131456
Collaborative Drug Discovery: 1518930
PubChem: 11717354, 53313044, 3247335, 24816461
SMDC Asinex (building blocks): 755422...11 total

ref: mol2, SDF, SMILES, flexibase
0.39,5.5,-49.57,3,3,1, 206.265, 4

Similar to: 7991670, 7991673, 36472345,
6202042
 
#47

PubChem: 3247372, 16725159
SMDC Asinex (building blocks): 755423
UPCMLD: 26681293, 4266716
ref: mol2, SDF, SMILES, flexibase
3.22,10.54,-39.27,4,3,1, 359.493, 5

Similar to: 7991675,
6202023
 
#48

ChEMBL12: CHEMBL1453749
ChEMBL19: CHEMBL1453749, CHEMBL1874070
Collaborative Drug Discovery: 215747, 1521542
PubChem: 23723056, 53312910, 3247336
SMDC Asinex (building blocks): 755424...11 total

ref: mol2, SDF, SMILES, flexibase
3.22,10.43,-49.22,4,3,1, 359.493, 5
hi: mol2, SDF, SMILES, flexibase
3.22,10.12,-9.85,3,3,0, 358.485, 5

Similar to: 7991675,
69021864
 
#49

Asinex: BBF28107854
PubChem: 63961604
SMDC Asinex (building blocks): 755269
Ambinter: Amb20062297
Enamine BB Make on Demand: BBV-38136170...6 total

ref: mol2, SDF, SMILES, flexibase
1.01,4.23,-43.81,2,3,1, 180.275, 2
19686715
 
#50

Asinex: BBE27571546
SMDC Asinex (building blocks): 755270
Ambinter: Amb20062029
ref: mol2, SDF, SMILES, flexibase
-0.54,0.87,-53.75,4,4,1, 206.269, 2
19686476
 
#51

AK Scientific: 7368AA
AKOS: AKOS014313680
Ark Pharm Building Blocks: AK115015
Asinex: BBD27288186
BePharm Building Blocks: B160456...16 total

ref: mol2, SDF, SMILES, flexibase
-0.80,5.52,-88.74,3,3,2, 167.256, 1
mid: mol2, SDF, SMILES, flexibase
-0.80,5.06,-47.37,2,3,1, 166.248, 1
69029983
 
#52

Molport: MolPort-020-264-077
AKOS: AKOS013291800
Asinex: BBD27755687
Enamine Building Blocks: EN300-98433
Matrix Scientific: 068155...12 total

ref: mol2, SDF, SMILES, flexibase
0.49,5.54,-88.19,3,3,2, 181.283, 2
mid: mol2, SDF, SMILES, flexibase
0.49,4.78,-44.92,2,3,1, 180.275, 2
69029987
 
#53

Molport: MolPort-020-264-077
AKOS: AKOS013291800
Asinex: BBD27755687
Enamine Building Blocks: EN300-98433
Matrix Scientific: 068155...12 total

ref: mol2, SDF, SMILES, flexibase
0.49,5.3,-88.32,3,3,2, 181.283, 2
mid: mol2, SDF, SMILES, flexibase
0.49,5.03,-46.71,2,3,1, 180.275, 2
29130681
 
#54

Molport BB: MolPort-039-061-741
BindingDB.org: 86831
ChEMBL12: CHEMBL406311, CHEMBL541913, CHEMBL557792
ChEMBL12 10uM: CHEMBL541913, CHEMBL406311, CHEMBL557792
ChEMBL19: CHEMBL557792...17 total

ref: mol2, SDF, SMILES, flexibase
1.39,4.51,-49.24,3,3,1, 188.254, 1
29130683
 
#55

Molport BB: MolPort-039-061-741
BindingDB.org: 86831
ChEMBL12: CHEMBL557792, CHEMBL406311, CHEMBL541913
ChEMBL12 10uM: CHEMBL541913, CHEMBL557792, CHEMBL406311
ChEMBL19: CHEMBL557792...17 total

ref: mol2, SDF, SMILES, flexibase
1.39,4.56,-49.66,3,3,1, 188.254, 1
19685964
 
#56

eMolecules: 31408771
Molport: MolPort-008-421-311
Aldrich CPR: CBR01518|ALDRICH
Alinda Building Blocks: ALBB-026727
American Custom Chemicals Corp.: CHM0149166...33 total

ref: mol2, SDF, SMILES, flexibase
0.37,2.38,-42.98,3,3,1, 152.221, 1
19685962
 
#57

eMolecules: 31408771
Molport: MolPort-008-421-311
Aldrich CPR: CBR01518|ALDRICH
Alinda Building Blocks: ALBB-026727
American Custom Chemicals Corp.: CHM0149166...32 total

ref: mol2, SDF, SMILES, flexibase
0.37,2.39,-42.95,3,3,1, 152.221, 1
19685976
 
#58

ChemMol: 96713199
AK Scientific: 0517AD
AKOS: AKOS015921452
Asinex: BBC17513427
Matrix Scientific: 041072...23 total

ref: mol2, SDF, SMILES, flexibase
1.31,5.22,-49.28,3,3,1, 202.281, 1
19685974
 
#59

ChemMol: 96713199
AK Scientific: 0517AD
AKOS: AKOS015921452
Asinex: BBC17513427
Matrix Scientific: 041072...24 total

ref: mol2, SDF, SMILES, flexibase
1.31,5.21,-49.24,3,3,1, 202.281, 1
19686350
 
#60

Molport: MolPort-014-459-147
Ark Pharm Building Blocks: AK141920
Asinex: BBD11111018
ChemBridge BuildingBlocks: 4090848, 4045489
Enamine Building Blocks: EN300-50681...23 total

ref: mol2, SDF, SMILES, flexibase
0.06,3.82,-47.8,2,3,1, 164.232, 1
19686348
 
#61

Molport: MolPort-014-459-147
Ark Pharm Building Blocks: AK141920
Asinex: BBD11111018
ChemBridge BuildingBlocks: 4090848, 4045489
Enamine Building Blocks: EN300-50681...23 total

ref: mol2, SDF, SMILES, flexibase
0.06,3.83,-47.81,2,3,1, 164.232, 1
7992766
 
#62

BindingDB.org: 74902
ChEMBL12: CHEMBL1344354
ChEMBL19: CHEMBL1344354
Collaborative Drug Discovery: 1413173, 272608
PubChem: 5459687...8 total

ref: mol2, SDF, SMILES, flexibase
-1.01,7.48,-63.76,0,4,-1, 230.243, 2

Similar to: 7992767, 32102004, 32102005, 32102007, 32102009, ... 9 in total.
7992767
 
#63

BindingDB.org: 74902
ChEMBL12: CHEMBL1344354
ChEMBL19: CHEMBL1344354
Collaborative Drug Discovery: 1413173, 272608
PubChem: 5459687...8 total

ref: mol2, SDF, SMILES, flexibase
-1.01,7.16,-63.23,0,4,-1, 230.243, 2

Similar to: 32102004, 32102005, 32102007, 32102009, 32102010, ... 9 in total.
19686631
 
#64

AKOS: AKOS015921690
Asinex: BBE27288818
Matrix Scientific: 068358
PubChem: 66509855
SMDC Asinex (building blocks): 755368...6 total

ref: mol2, SDF, SMILES, flexibase
0.84,2.29,-40.61,2,3,1, 164.232, 1
hi: mol2, SDF, SMILES, flexibase
0.84,1.29,-5.36,1,3,0, 163.224, 1
19686633
 
#65

AKOS: AKOS015921690
Asinex: BBE27288818
Matrix Scientific: 068358
PubChem: 66509855
SMDC Asinex (building blocks): 755368...6 total

ref: mol2, SDF, SMILES, flexibase
0.84,2.6,-36.6,2,3,1, 164.232, 1
hi: mol2, SDF, SMILES, flexibase
0.84,1.22,-4.62,1,3,0, 163.224, 1
8829506
 
#66

ChEMBL12: CHEMBL1327645
ChEMBL19: CHEMBL1327645
Collaborative Drug Discovery: 273320, 1457576
PubChem: 5459688
SMDC Asinex (building blocks): 755432...7 total

ref: mol2, SDF, SMILES, flexibase
0.96,9.02,-44.5,0,4,-1, 298.362, 2

Similar to: 8829507,
8829507
 
#67

ChEMBL12: CHEMBL1327645
ChEMBL19: CHEMBL1327645
Collaborative Drug Discovery: 273320, 1457576
PubChem: 5459688
SMDC Asinex (building blocks): 755432...7 total

ref: mol2, SDF, SMILES, flexibase
0.96,9,-44.58,0,4,-1, 298.362, 2

Similar to: 8829506,
19686528
 
#68

SMDC Asinex (building blocks): 755369
ref: mol2, SDF, SMILES, flexibase
0.35,3.48,-41.78,3,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
0.35,3.85,-92.38,4,4,2, 208.309, 2
19686530
 
#69

SMDC Asinex (building blocks): 755369
ref: mol2, SDF, SMILES, flexibase
0.35,3.49,-41.85,3,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
0.35,3.86,-92.31,4,4,2, 208.309, 2
7992796
 
#70

ChEMBL12: CHEMBL1453861
ChEMBL19: CHEMBL1453861
Collaborative Drug Discovery: 272897
PubChem: 5459716
SMDC Asinex (building blocks): 755433...6 total

ref: mol2, SDF, SMILES, flexibase
0.06,8.57,-54.89,0,5,-1, 274.296, 4

Similar to: 8584224, 8584225, 8584226,
19686814
 
#71

Asinex: BBE27756268
PubChem: 67480271
SMDC Asinex (building blocks): 755370
SureChEMBL: SCHEMBL2637316
Ambinter: Amb20062072...5 total

ref: mol2, SDF, SMILES, flexibase
0.67,3.71,-39.79,2,3,1, 178.259, 1
19686816
 
#72

Asinex: BBE27756268
PubChem: 67480271
SMDC Asinex (building blocks): 755370
SureChEMBL: SCHEMBL2637316
Ambinter: Amb20062072...5 total

ref: mol2, SDF, SMILES, flexibase
0.67,3.87,-40.91,2,3,1, 178.259, 1
7992800
 
#73

ChEMBL19: CHEMBL1866931
Collaborative Drug Discovery: 279274
PubChem: 5459720
SMDC Asinex (building blocks): 755434
UPCMLD: 8143104...5 total

ref: mol2, SDF, SMILES, flexibase
0.74,11.13,-68.09,0,4,-1, 320.368, 4

Similar to: 8586459, 8632385, 36377183,
19686763
 
#74

SMDC Asinex (building blocks): 755371
ref: mol2, SDF, SMILES, flexibase
0.84,2.78,-34.63,2,4,1, 193.274, 2
19686765
 
#75

SMDC Asinex (building blocks): 755371
ref: mol2, SDF, SMILES, flexibase
0.84,2.85,-34.63,2,4,1, 193.274, 2
7992801
 
#76

ChEMBL12: CHEMBL1490299
ChEMBL19: CHEMBL1490299
Collaborative Drug Discovery: 214975
PubChem: 5459721
SMDC Asinex (building blocks): 755435...6 total

ref: mol2, SDF, SMILES, flexibase
-0.46,8.42,-61.97,0,4,-1, 258.297, 3

Similar to: 8632387,
7992817
 
#77

ChEMBL12: CHEMBL1558380
ChEMBL19: CHEMBL1558380
Collaborative Drug Discovery: 325773
PubChem: 5459742
SMDC Asinex (building blocks): 755436...6 total

ref: mol2, SDF, SMILES, flexibase
0.03,8.3,-59.04,0,5,-1, 274.296, 4

Similar to: 8584237,
19686717
 
#78

AKOS: AKOS015921984
Asinex: BBE27571547
Matrix Scientific: 068129
PubChem: 66510099
SMDC Asinex (building blocks): 755374...5 total

ref: mol2, SDF, SMILES, flexibase
-0.16,2.37,-53.89,3,4,1, 220.296, 2
68890489
 
#79

Molport: MolPort-020-264-076
AKOS: AKOS012862880
Asinex: BBD27755680
Enamine Building Blocks: EN300-71120
Matrix Scientific: 068147...11 total

ref: mol2, SDF, SMILES, flexibase
0.49,5.33,-85.26,3,3,2, 181.283, 2
mid: mol2, SDF, SMILES, flexibase
0.49,5.05,-41.96,2,3,1, 180.275, 2
19686773
 
#80

AKOS: AKOS015922020
Asinex: BBE27755755
Matrix Scientific: 068141
PubChem: 66510126
SMDC Asinex (building blocks): 755283...5 total

ref: mol2, SDF, SMILES, flexibase
0.50,3.79,-46.94,2,4,1, 207.301, 2
19686810
 
#81

AKOS: AKOS015920532
Asinex: BBE27756195
Matrix Scientific: 068317
PubChem: 66509255
SMDC Asinex (building blocks): 755284...5 total

ref: mol2, SDF, SMILES, flexibase
1.10,5.73,-48.44,2,4,1, 193.274, 2
19686812
 
#82

AKOS: AKOS015920532
Asinex: BBE27756195
Matrix Scientific: 068317
PubChem: 66509255
SMDC Asinex (building blocks): 755284...5 total

ref: mol2, SDF, SMILES, flexibase
1.10,5.81,-46.92,2,4,1, 193.274, 2
19686510
 
#83

Asinex: BBD27289162
SMDC Asinex (building blocks): 755285
Ambinter: Amb20061672
ref: mol2, SDF, SMILES, flexibase
0.17,0.66,-43.36,3,3,1, 124.167, 1
19686158
 
#84

AKOS: AKOS012621356
Asinex: BBC26689024
Enamine Building Blocks: EN300-131443
Matrix Scientific: 067644
Molport BB: MolPort-011-129-184...10 total

ref: mol2, SDF, SMILES, flexibase
0.15,3.85,-42.63,2,3,1, 178.259, 1
19686685
 
#85

AKOS: AKOS015921969
Asinex: BBE27289367
Matrix Scientific: 068178
IBM Patent Data: 135810159
PubChem: 54210127...7 total

ref: mol2, SDF, SMILES, flexibase
-0.20,0.2,-43.41,3,4,1, 154.193, 1
hi: mol2, SDF, SMILES, flexibase
-0.20,-1.22,-8.5,2,4,0, 153.185, 1
19686683
 
#86

AKOS: AKOS015921969
Asinex: BBE27289367
Matrix Scientific: 068178
IBM Patent Data: 135810159
PubChem: 54210127...7 total

ref: mol2, SDF, SMILES, flexibase
-0.20,0.11,-44.97,3,4,1, 154.193, 1
hi: mol2, SDF, SMILES, flexibase
-0.20,-1.31,-9.88,2,4,0, 153.185, 1
19686775
 
#87

AKOS: AKOS015922021
Asinex: BBE27755756
Matrix Scientific: 068150
PubChem: 66510127
SMDC Asinex (building blocks): 755290...6 total

ref: mol2, SDF, SMILES, flexibase
0.50,3.77,-43.95,2,4,1, 207.301, 2
19686777
 
#88

AKOS: AKOS015922021
Asinex: BBE27755756
Matrix Scientific: 068150
PubChem: 66510127
SMDC Asinex (building blocks): 755290...6 total

ref: mol2, SDF, SMILES, flexibase
0.50,3.78,-44.01,2,4,1, 207.301, 2
19686602
 
#89

AKOS: AKOS015921717
Asinex: BBE27288435
Matrix Scientific: 068128
PubChem: 66509881
SMDC Asinex (building blocks): 755380...5 total

ref: mol2, SDF, SMILES, flexibase
0.26,1.76,-46.47,3,4,1, 193.274, 2
19686604
 
#90

AKOS: AKOS015921717
Asinex: BBE27288435
Matrix Scientific: 068128
PubChem: 66509881
SMDC Asinex (building blocks): 755380...5 total

ref: mol2, SDF, SMILES, flexibase
0.26,1.76,-46.47,3,4,1, 193.274, 2
35605829
 
#91

AK Scientific: 1297AD
AKOS: AKOS015921804
American Custom Chemicals Corp.: HCH0107476
Asinex: BBE25209121
Matrix Scientific: 041112...10 total

ref: mol2, SDF, SMILES, flexibase
2.41,5.06,-52.71,3,3,1, 232.282, 2
66323464
 
#92

Molport: MolPort-019-931-161
Alinda Building Blocks: ALBB-014578
Asinex: BBE27290836
ChemDiv BuildingBlocks: BB57-1412
Fluorochem: 391179...13 total

ref: mol2, SDF, SMILES, flexibase
0.99,2.65,-40.91,3,3,1, 166.248, 1
19695353
 
#93

Molport BB: MolPort-039-061-738
SMDC Asinex (building blocks): 755383
ref: mol2, SDF, SMILES, flexibase
-0.16,2.33,-54.22,3,4,1, 220.296, 2
19695354
 
#94

Molport BB: MolPort-039-061-738
SMDC Asinex (building blocks): 755383
ref: mol2, SDF, SMILES, flexibase
-0.16,2.33,-54.19,3,4,1, 220.296, 2
19686320
 
#95

Enamine Building Blocks: EN300-157682
PubChem: 63317763
SMDC Asinex (building blocks): 755386
Enamine BB Make on Demand: BBV-37211375
UORSY BB Make-on-demand: BBV-37211375...5 total

ref: mol2, SDF, SMILES, flexibase
0.59,4.43,-42.66,2,3,1, 192.286, 1
19686536
 
#96

SMDC Asinex (building blocks): 755297
ref: mol2, SDF, SMILES, flexibase
1.19,3.68,-33.59,3,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.19,2.67,-28.28,3,4,1, 207.301, 2
lo: mol2, SDF, SMILES, flexibase
1.19,4.04,-93.58,4,4,2, 208.309, 2
19686538
 
#97

SMDC Asinex (building blocks): 755297
ref: mol2, SDF, SMILES, flexibase
1.19,3.69,-33.66,3,4,1, 207.301, 2
mid: mol2, SDF, SMILES, flexibase
1.19,2.73,-26.65,3,4,1, 207.301, 2
lo: mol2, SDF, SMILES, flexibase
1.19,4.06,-93.57,4,4,2, 208.309, 2
67649468
 
#98

eMolecules: 36563561
Molport: MolPort-019-880-764
Asinex: BDD27568701
ChemBridge: 11285958
Mcule: MCULE-7752006188...10 total

ref: mol2, SDF, SMILES, flexibase
2.09,5.92,-41.06,3,3,1, 228.319, 2
67649471
 
#99

eMolecules: 36563561
Molport: MolPort-019-880-764
Asinex: BDD27568701
ChemBridge: 11285958
Mcule: MCULE-7752006188...9 total

ref: mol2, SDF, SMILES, flexibase
2.09,5.92,-38.49,3,3,1, 228.319, 2
36379934
 
#100

Asinex: BBB27288209
Enamine Building Blocks: EN300-88896
Ryan Scientific BB: 047-69445
PubChem: 45792609, 51723444
SMDC Asinex (building blocks): 755397...7 total

ref: mol2, SDF, SMILES, flexibase
-0.12,2.24,-59,3,4,1, 182.247, 1
mid: mol2, SDF, SMILES, flexibase
0.34,0.96,-67.14,2,4,0, 181.239, 1

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 = 592 ) limit 0,100

Smiles were