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ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
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Structure

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4235541
 
#1

AKOS: AKOS004906980
MolMall (formerly Molecular Diversity Preservation International): 4681, 14582
ChemDB: 5573297
PubChem: 9581358, 2751637
ref: mol2, SDF, SMILES, flexibase
2.48,-5.55,-36.19,6,5,1, 377.291, 6
3844491
 
#2

AKOS: AKOS004900694
MolMall (formerly Molecular Diversity Preservation International): 1411, 10249
BindingDB.org: 46745
ChEMBL12: CHEMBL1734392
ChEMBL19: CHEMBL1734392...10 total

ref: mol2, SDF, SMILES, flexibase
2.53,4.15,-27.16,1,3,1, 238.77, 1
hi: mol2, SDF, SMILES, flexibase
2.53,3.8,-4.78,0,3,0, 237.762, 1
19831064
 
#3

ChemMol: 30104266, 44500364, 51502506, 44033496
Molport: MolPort-002-707-944
AK Scientific: Y8659
AKOS: AKOS001745012
Anward: ANW-57517...43 total

ref: mol2, SDF, SMILES, flexibase
0.54,2.79,-6.93,2,8,0, 184.111, 2

Similar to: 3921335,
163939
 
#4

eMolecules: 5839046, 508041
Molport: MolPort-000-871-895, MolPort-002-903-134
Scientific Exchange (make on demand): H-069940, X-090324, C-029453
AK Scientific: 1399AB
AKOS: AKOS000269025...68 total

ref: mol2, SDF, SMILES, flexibase
1.67,4.96,-46.99,2,4,-1, 191.239, 1

Similar to: 34972149, 34972171,
3844473
 
#5

AKOS: AKOS004904353
MolMall (formerly Molecular Diversity Preservation International): 1380, 10218
ChemDB: 5567542
PubChem: 44165097, 2748775
SureChEMBL: SCHEMBL9034914...8 total

ref: mol2, SDF, SMILES, flexibase
-0.28,-1.16,-35.9,0,5,-1, 111.084, 1
3844472
 
#6

AKOS: AKOS004904343
Chembo Pharma: KB-251956
MolMall (formerly Molecular Diversity Preservation International): 1377, 10215
Innovapharm BB Make on Demand: BBV-00044748
ChemDB: 5567537...9 total

ref: mol2, SDF, SMILES, flexibase
1.80,5.03,-41.35,0,6,-1, 246.246, 5

Similar to: 39343188, 39643928, 39643930,
3844471
 
#7

AKOS: AKOS004904334
Labotest: LT00771448
MolMall (formerly Molecular Diversity Preservation International): 1373, 10211
TimTec: ST51014855
ChemDB: 5567530...8 total

ref: mol2, SDF, SMILES, flexibase
1.53,3.47,-11.57,0,8,0, 262.225, 5
4265353
 
#8

AKOS: AKOS004904325
MolMall (formerly Molecular Diversity Preservation International): 1369, 10207
ChemDB: 5567525
PubChem: 2748767
ref: mol2, SDF, SMILES, flexibase
2.44,8.62,-16.89,0,11,0, 335.276, 6

Similar to: 36470139,
3844467
 
#9

AKOS: AKOS004904316
MolMall (formerly Molecular Diversity Preservation International): 1365, 10203
ChemDB: 5567518
PubChem: 2748765
ref: mol2, SDF, SMILES, flexibase
3.81,5.16,-10.75,0,10,0, 404.423, 9

Similar to: 1731422,
3844466
 
#10

AKOS: AKOS004904315
MolMall (formerly Molecular Diversity Preservation International): 1364, 10202
Molport BB: MolPort-003-657-922
Princeton BioMolecular Research: OSSL_799669
Innovapharm BB Make on Demand: BBV-00044747...12 total

ref: mol2, SDF, SMILES, flexibase
2.06,0.76,-49.08,0,5,-1, 236.638, 3

Similar to: 39269990, 39643936, 39647694,
3844465
 
#11

AKOS: AKOS004904305
MolMall (formerly Molecular Diversity Preservation International): 1363, 10201
ChemDB: 5567514
PubChem: 2748762
ref: mol2, SDF, SMILES, flexibase
0.69,4.27,-11.63,2,8,0, 230.187, 2
3844464
 
#12

AKOS: AKOS004904304
MolMall (formerly Molecular Diversity Preservation International): 1362, 10200
ChemDB: 5567512
PubChem: 2748761
ref: mol2, SDF, SMILES, flexibase
2.37,1.44,-12.32,2,7,0, 281.275, 3
3844463
 
#13

AKOS: AKOS004904303
MolMall (formerly Molecular Diversity Preservation International): 1361, 10199
ChemDB: 5567511
PubChem: 7053196, 2748760
ref: mol2, SDF, SMILES, flexibase
1.09,1.47,-50.55,0,9,-1, 277.216, 5

Similar to: 34403311,
3844461
 
#14

eMolecules: 5854473
Molport: MolPort-003-657-909
AKOS: AKOS002675413
Mcule: MCULE-8181185828
MolMall (formerly Molecular Diversity Preservation International): 1358...17 total

ref: mol2, SDF, SMILES, flexibase
1.81,0.81,-52.22,0,6,-1, 266.664, 4

Similar to: 36639028,
53021537
 
#15

AKOS: AKOS004904286
MolMall (formerly Molecular Diversity Preservation International): 1355, 10193
ChemDB: 5567500
PubChem: 2748755, 9581232
ref: mol2, SDF, SMILES, flexibase
-0.18,11.58,-30.6,2,5,1, 371.511, 5
mid: mol2, SDF, SMILES, flexibase
4.06,10.5,-10.88,1,5,0, 370.503, 4
4265340
 
#16

AKOS: AKOS004900691
MolMall (formerly Molecular Diversity Preservation International): 1345, 10183
ChemDB: 5567483
PubChem: 2748743, 5704705
ref: mol2, SDF, SMILES, flexibase
1.09,5.52,-17.69,0,4,0, 233.296, 3
1883067
 
#17

eMolecules: 46472408, 48554198, 46474014
TCM Database @ Taiwan: 44387
Aldrich CPR: R551953|ALDRICH, R430986|ALDRICH, R156388|ALDRICH, L202061|ALDRICH, T106674|ALDRICH, S672262|ALDRICH, L143359|ALDRICH, S864048|ALDRICH, S640085|ALDRICH, S115169|ALDRICH, R506508|ALDRICH, R232637|ALDRICH, T142034|ALDRICH, S770299|ALDRICH, S308889|ALDRICH, S287520|ALDRICH
Chembo Pharma: KB-106092, KB-281292, KB-286059
IBScreen NP: STOCK1N-07231...396 total

ref: mol2, SDF, SMILES, flexibase
1.45,6.13,-30.72,0,10,-1, 228.096, 3

Similar to: 32153567, 33847146, 1316284,
15227409
 
#18

Molport: MolPort-019-781-745
Scientific Exchange (make on demand): X-029298
AKOS: AKOS004904321
MolMall (formerly Molecular Diversity Preservation International): 1319, 10157
ChemDB: 5567437...9 total

ref: mol2, SDF, SMILES, flexibase
4.37,5.6,-50.73,0,5,-1, 264.264, 3
3844436
 
#19

AKOS: AKOS004904302
MolMall (formerly Molecular Diversity Preservation International): 1312, 10150
Synblock: AB08294
ChEMBL19: CHEMBL1823304
ChemDB: 5567426...11 total

ref: mol2, SDF, SMILES, flexibase
1.12,4.6,-10.73,0,7,0, 218.172, 3

Similar to: 34402270,
3844432
 
#20

AKOS: AKOS004904294
MolMall (formerly Molecular Diversity Preservation International): 1305, 10143
ChemDB: 5567413
PubChem: 6409706
ref: mol2, SDF, SMILES, flexibase
2.43,5.5,-8.27,2,5,0, 237.266, 3
3844431
 
#21

AKOS: AKOS004900687
MolMall (formerly Molecular Diversity Preservation International): 1301, 10138
ChemDB: 5567408
PubChem: 2748712
SureChEMBL: SCHEMBL15330055...6 total

ref: mol2, SDF, SMILES, flexibase
3.81,2.84,-8.84,0,6,0, 327.727, 4
383855
 
#22

eMolecules: 2627922
Molport: MolPort-002-841-504
AK Scientific: 6347AA
AKOS: AKOS001848469
Anward: ANW-57683...22 total

ref: mol2, SDF, SMILES, flexibase
2.57,2.25,-5.99,0,5,0, 237.646, 2
5519478
 
#23

eMolecules: 2047425, 2330359
Molport: MolPort-001-680-514
Acorn PharmaTech: ACN-000992, ACN-000994
AKOS: AKOS003726171
Ark Pharm Building Blocks: AK139793...39 total

ref: mol2, SDF, SMILES, flexibase
1.11,4.38,-16.26,1,3,0, 160.176, 1
24716735
 
#24

AKOS: AKOS004900684
MolMall (formerly Molecular Diversity Preservation International): 1266, 10103
ChemDB: 5567366
PubChem: 2748694, 51644704
ref: mol2, SDF, SMILES, flexibase
0.07,11.92,-49.52,1,6,1, 345.429, 4

Similar to: 34333945,
13402054
 
#25

AKOS: AKOS004900661
MolMall (formerly Molecular Diversity Preservation International): 1258, 10095
ChemDB: 5567351
PubChem: 2748686
ref: mol2, SDF, SMILES, flexibase
3.81,9.96,-32.65,1,5,1, 375.275, 2
3844403
 
#26

AKOS: AKOS004900667
MolMall (formerly Molecular Diversity Preservation International): 1244, 10081
ChemDB: 5567327
PubChem: 51397170, 6826225, 2748674, 5704686
ref: mol2, SDF, SMILES, flexibase
1.57,1.88,-45.39,0,5,-1, 215.235, 2
41257
 
#27

eMolecules: 31468933, 31468955, 10117831
Molport: MolPort-002-355-964, MolPort-002-355-930, MolPort-002-356-138
AKOS: AKOS002347105, AKOS004904363, AKOS003628840
Innovapharm: STT-00001067
Mcule: MCULE-2146707257...43 total

ref: mol2, SDF, SMILES, flexibase
0.08,7.93,-23.1,2,3,1, 254.338, 2
lo: mol2, SDF, SMILES, flexibase
0.08,8.48,-89.28,3,3,2, 255.346, 2

Similar to: 3975420, 32089110, 32089114, 32089117, 32089121, ... 24 in total.
12367590
 
#28

eMolecules: 5775127
Molport: MolPort-002-910-596
AKOS: AKOS004904481
Maybridge: NRB01188
Maybridge Hit Finder: NRB01188...9 total

ref: mol2, SDF, SMILES, flexibase
0.91,5.84,-4.59,2,4,0, 168.244, 4

Similar to: 39251361,
4265265
 
#29

eMolecules: 5774623
Molport: MolPort-002-910-594
AKOS: AKOS004904480
Maybridge: NRB01171
Maybridge Hit Finder: NRB01171...11 total

ref: mol2, SDF, SMILES, flexibase
3.38,9.58,-2.68,2,4,0, 248.374, 4
4235216
 
#30

AKOS: AKOS004904227
Fluorochem: 341262
KeyOrganics: MS-6428
Mcule: MCULE-1219060356
MolMall (formerly Molecular Diversity Preservation International): 1208...10 total

ref: mol2, SDF, SMILES, flexibase
2.46,0.87,-13.17,1,5,0, 232.239, 3

Similar to: 32264956,
12410108
 
#31

eMolecules: 1848805, 45792986
Molport: MolPort-002-886-667, MolPort-002-044-491
Scientific Exchange: POD_44/0594
Scientific Exchange (make on demand): POD_51/0919, POD_17/0852
AKOS: AKOS005107635...47 total

ref: mol2, SDF, SMILES, flexibase
2.73,7.45,-42.57,0,3,-1, 242.298, 2
ref: mol2, SDF, SMILES, flexibase
2.73,6.45,-37.89,0,3,-1, 242.298, 2
mid: mol2, SDF, SMILES, flexibase
1.81,7.54,-8.52,1,3,0, 243.306, 2
lo: mol2, SDF, SMILES, flexibase
2.73,6.27,-32.53,2,3,1, 244.314, 2
lo: mol2, SDF, SMILES, flexibase
2.73,4.87,-12.55,1,3,0, 243.306, 2
lo: mol2, SDF, SMILES, flexibase
2.73,5.93,-15.58,1,3,0, 243.306, 2
4235210
 
#32

eMolecules: 5854224
Molport: MolPort-003-657-786
AKOS: AKOS004904196
Alinda Building Blocks: ALBB-013625
ChemDiv BuildingBlocks: BB55-7198...14 total

ref: mol2, SDF, SMILES, flexibase
2.44,0.85,-21.76,1,5,0, 232.239, 3
3844362
 
#33

AKOS: AKOS004904078
MolMall (formerly Molecular Diversity Preservation International): 1158, 9803
ChemDB: 5567188
PubChem: 7053162, 2748600
ref: mol2, SDF, SMILES, flexibase
-3.11,2.58,-57.47,0,8,-1, 297.287, 6
3844361
 
#34

AKOS: AKOS004904078
MolMall (formerly Molecular Diversity Preservation International): 1158, 9803
ChemDB: 5567188
PubChem: 7053160, 2748600
ref: mol2, SDF, SMILES, flexibase
-3.11,2.22,-51.61,0,8,-1, 297.287, 6
3844360
 
#35

AKOS: AKOS004904072
MolMall (formerly Molecular Diversity Preservation International): 1157, 9802
ChemDB: 5567187
PubChem: 2748599, 7053158
ref: mol2, SDF, SMILES, flexibase
-2.39,1.32,-54.75,0,6,-1, 225.224, 3
3844359
 
#36

AKOS: AKOS004904072
MolMall (formerly Molecular Diversity Preservation International): 1157, 9802
ChemDB: 5567187
PubChem: 2748599, 7053156
ref: mol2, SDF, SMILES, flexibase
-2.39,1.34,-54.52,0,6,-1, 225.224, 3
3844358
 
#37

AKOS: AKOS004906733, AKOS004904071
MolMall (formerly Molecular Diversity Preservation International): 1156, 9801
ChemDB: 5567185
PubChem: 7053155, 2751404, 2748598
ref: mol2, SDF, SMILES, flexibase
-0.45,4.27,-54.69,0,6,-1, 225.224, 3

Similar to: 25491528, 44407011, 44407013,
3844357
 
#38

AKOS: AKOS004900641
MolMall (formerly Molecular Diversity Preservation International): 1155, 9800
ChemDB: 5567184
PubChem: 2748597, 7053153
ref: mol2, SDF, SMILES, flexibase
-2.17,1.28,-54.32,0,6,-1, 239.251, 3

Similar to: 25491528,
3844356
 
#39

AKOS: AKOS004900641
MolMall (formerly Molecular Diversity Preservation International): 1155, 9800
ChemDB: 5567184
PubChem: 2748597, 7053151
ref: mol2, SDF, SMILES, flexibase
-2.17,1.21,-54.17,0,6,-1, 239.251, 3

Similar to: 25491528,
3844355
 
#40

AKOS: AKOS004901531
MolMall (formerly Molecular Diversity Preservation International): 1154, 9799
Innovapharm BB Make on Demand: BBV-00044737
ChemDB: 5567182
PubChem: 2748596...8 total

ref: mol2, SDF, SMILES, flexibase
-0.67,3.94,-55.13,0,6,-1, 211.197, 3

Similar to: 34332998,
3844353
 
#41

AKOS: AKOS004904235
MolMall (formerly Molecular Diversity Preservation International): 1152, 9587
ChemDB: 5567178
PubChem: 2748594, 54676843, 51397169
ref: mol2, SDF, SMILES, flexibase
2.98,6.96,-44.19,1,1,-1, 206.315, 0
lo: mol2, SDF, SMILES, flexibase
2.98,6.53,-19.13,1,1,0, 207.323, 0
13401920
 
#42

AKOS: AKOS004900632
MolMall (formerly Molecular Diversity Preservation International): 1138, 9564
ChemDB: 5567159
PubChem: 45005510, 51521208
ref: mol2, SDF, SMILES, flexibase
3.91,9.83,-122.69,0,6,-2, 396.402, 4
lo: mol2, SDF, SMILES, flexibase
3.39,12.4,-54.63,1,6,-1, 397.41, 4
13401916
 
#43

AKOS: AKOS004900630
MolMall (formerly Molecular Diversity Preservation International): 1136, 9561
ChemDB: 5567155
PubChem: 45005508
ref: mol2, SDF, SMILES, flexibase
4.92,9.96,-59.35,1,5,-1, 419.46, 3
lo: mol2, SDF, SMILES, flexibase
4.40,11.58,-12.08,2,5,0, 420.468, 3
13401912
 
#44

AKOS: AKOS004900626
MolMall (formerly Molecular Diversity Preservation International): 1135, 9557
ChemDB: 5567153
PubChem: 45005507, 51521206
ref: mol2, SDF, SMILES, flexibase
3.94,9.8,-110.58,0,6,-2, 396.402, 4
lo: mol2, SDF, SMILES, flexibase
3.42,12.37,-55.81,1,6,-1, 397.41, 4
13401909
 
#45

AKOS: AKOS004900638
MolMall (formerly Molecular Diversity Preservation International): 1134, 9553
ChemDB: 5567151
PubChem: 51521205, 45005506, 7158490, 54678412, 6810363
ref: mol2, SDF, SMILES, flexibase
3.94,7.84,-118.32,1,7,-2, 412.401, 4
lo: mol2, SDF, SMILES, flexibase
3.42,10.44,-57.36,2,7,-1, 413.409, 4
1091740
 
#46

AKOS: AKOS004904011
MolMall (formerly Molecular Diversity Preservation International): 1130, 9548
TimTec: ST50993345
ChemDB: 4091170
PubChem: 51378430...6 total

ref: mol2, SDF, SMILES, flexibase
3.41,12.44,-70.88,0,7,-1, 463.517, 4
lo: mol2, SDF, SMILES, flexibase
2.90,13.25,-25.95,1,7,0, 464.525, 4
5686206
 
#47

AKOS: AKOS004903989
MolMall (formerly Molecular Diversity Preservation International): 1122, 9535
ChemDB: 4091165
ref: mol2, SDF, SMILES, flexibase
1.32,8.65,-11.6,3,6,0, 317.352, 1

Similar to: 132487,
13401901
 
#48

AKOS: AKOS004903983
MolMall (formerly Molecular Diversity Preservation International): 1120, 9528
ChemDB: 5567137
PubChem: 51521203, 45005494, 6823649, 5704642
ref: mol2, SDF, SMILES, flexibase
2.96,9.01,-55.81,0,5,-1, 382.443, 5
mid: mol2, SDF, SMILES, flexibase
3.81,8.45,-15.85,1,5,0, 383.451, 5
lo: mol2, SDF, SMILES, flexibase
3.81,8.72,-38.96,2,5,1, 384.459, 5
lo: mol2, SDF, SMILES, flexibase
2.96,9.23,-45.41,1,5,0, 383.451, 5
13401890
 
#49

AKOS: AKOS004903977
MolMall (formerly Molecular Diversity Preservation International): 1115, 9520
TimTec: ST50993411
ChemDB: 4091168
PubChem: 51521201...7 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.06,-56.44,2,5,-1, 368.416, 3
lo: mol2, SDF, SMILES, flexibase
2.58,9.72,-10.89,3,5,0, 369.424, 3

Similar to: 8101036,
13401886
 
#50

AKOS: AKOS004903972
MolMall (formerly Molecular Diversity Preservation International): 1114, 9519
TimTec: ST50993410
ChemDB: 5567133
PubChem: 51521200...7 total

ref: mol2, SDF, SMILES, flexibase
3.08,8.83,-52.35,2,5,-1, 368.416, 3

Similar to: 8101036,
24716698
 
#51

AKOS: AKOS004903971
MolMall (formerly Molecular Diversity Preservation International): 1113, 9517
ChemDB: 5567131
PubChem: 45005487, 51644700
ref: mol2, SDF, SMILES, flexibase
2.95,9.3,-58.15,2,6,-1, 369.404, 3
lo: mol2, SDF, SMILES, flexibase
2.43,9.53,-22.97,3,6,0, 370.412, 3
13401881
 
#52

AKOS: AKOS004900605
MolMall (formerly Molecular Diversity Preservation International): 1112, 9516
TimTec: ST50993412
ChemDB: 4085543
PubChem: 51521199...7 total

ref: mol2, SDF, SMILES, flexibase
4.62,12.01,-47.67,2,5,-1, 418.476, 3
lo: mol2, SDF, SMILES, flexibase
4.10,12.72,-9.87,3,5,0, 419.484, 3
4701069
 
#53

AKOS: AKOS004904064
MolMall (formerly Molecular Diversity Preservation International): 1111, 9514
TimTec: ST50993408
ChemDB: 5567129
PubChem: 51405744...8 total

ref: mol2, SDF, SMILES, flexibase
5.21,12.37,-53.04,0,4,-1, 403.461, 3
lo: mol2, SDF, SMILES, flexibase
4.69,14.1,-10.97,1,4,0, 404.469, 3
4265174
 
#54

AKOS: AKOS004900599
MolMall (formerly Molecular Diversity Preservation International): 1109, 9508
TimTec: ST50993414
ChemDB: 5567126
PubChem: 6822220...8 total

ref: mol2, SDF, SMILES, flexibase
4.43,10.94,-49.64,0,4,-1, 367.428, 3
lo: mol2, SDF, SMILES, flexibase
3.91,12.61,-10.24,1,4,0, 368.436, 3
13401873
 
#55

AKOS: AKOS004900594
MolMall (formerly Molecular Diversity Preservation International): 1107, 9502
TimTec: ST50993417
ChemDB: 5567122
PubChem: 51521198...7 total

ref: mol2, SDF, SMILES, flexibase
4.06,10.25,-52.85,0,5,-1, 383.427, 4
lo: mol2, SDF, SMILES, flexibase
3.54,11.13,-12.55,1,5,0, 384.435, 4
13401869
 
#56

AKOS: AKOS004904056
MolMall (formerly Molecular Diversity Preservation International): 1106, 9497
TimTec: ST50993420
ChemDB: 5567121
PubChem: 6820097...9 total

ref: mol2, SDF, SMILES, flexibase
2.96,9.22,-48.37,0,5,-1, 354.389, 3
lo: mol2, SDF, SMILES, flexibase
3.80,7.91,-37.82,2,5,1, 356.405, 3
lo: mol2, SDF, SMILES, flexibase
2.44,10.07,-10.87,1,5,0, 355.397, 3
13401861
 
#57

AKOS: AKOS004904049
MolMall (formerly Molecular Diversity Preservation International): 1104, 9494
ChemDB: 5567117
PubChem: 51521196, 45005478, 6822663, 5704627
ref: mol2, SDF, SMILES, flexibase
2.44,8.26,-50.57,0,5,-1, 368.416, 4
mid: mol2, SDF, SMILES, flexibase
3.28,7.38,-13.93,1,5,0, 369.424, 4
lo: mol2, SDF, SMILES, flexibase
3.28,7.66,-42.37,2,5,1, 370.432, 4
lo: mol2, SDF, SMILES, flexibase
2.44,8.57,-49.93,1,5,0, 369.424, 4
13401855
 
#58

AKOS: AKOS004900586
MolMall (formerly Molecular Diversity Preservation International): 1103, 9493
ChemDB: 5567115
PubChem: 51521195, 45005477, 6796996, 5704626
ref: mol2, SDF, SMILES, flexibase
2.49,8.24,-51.21,0,5,-1, 368.416, 4
mid: mol2, SDF, SMILES, flexibase
3.33,7.88,-11.97,1,5,0, 369.424, 4
lo: mol2, SDF, SMILES, flexibase
3.33,8.16,-41.29,2,5,1, 370.432, 4
12362228
 
#59

AKOS: AKOS004900582
MolMall (formerly Molecular Diversity Preservation International): 1102, 9492
ChemDB: 4091167
PubChem: 6755887, 24207630, 5499739, 45005476, 51504934
ref: mol2, SDF, SMILES, flexibase
2.56,8.22,-56.59,0,5,-1, 368.416, 4
13401850
 
#60

MolMall (formerly Molecular Diversity Preservation International): 1101, 9489
TimTec: ST50993421
ChemDB: 5567113
PubChem: 45005475
ref: mol2, SDF, SMILES, flexibase
3.76,7.34,-52.84,1,5,-1, 369.4, 3
lo: mol2, SDF, SMILES, flexibase
3.24,9.01,-10.6,2,5,0, 370.408, 3
4701060
 
#61

AKOS: AKOS004904042
MolMall (formerly Molecular Diversity Preservation International): 1100, 9487
TimTec: ST50993335
ChemDB: 5567111
PubChem: 51405739...7 total

ref: mol2, SDF, SMILES, flexibase
5.73,13.75,-52.07,0,6,-1, 483.503, 3
lo: mol2, SDF, SMILES, flexibase
5.21,14.68,-13.37,1,6,0, 484.511, 3
4265161
 
#62

AKOS: AKOS004900578
MolMall (formerly Molecular Diversity Preservation International): 1098, 9485
TimTec: ST50993338
ChemDB: 5567107
PubChem: 5868167...9 total

ref: mol2, SDF, SMILES, flexibase
4.18,8.83,-53.1,1,5,-1, 383.427, 3
lo: mol2, SDF, SMILES, flexibase
3.66,9.75,-10.66,2,5,0, 384.435, 3
13401837
 
#63

AKOS: AKOS004900591
MolMall (formerly Molecular Diversity Preservation International): 1096, 9483
TimTec: ST50993340
ChemDB: 5567106
PubChem: 51521191...7 total

ref: mol2, SDF, SMILES, flexibase
1.70,3.67,-55.09,1,5,-1, 321.356, 4
4701057
 
#64

AKOS: AKOS004900590
MolMall (formerly Molecular Diversity Preservation International): 1094, 9481
TimTec: ST50993343
ChemDB: 5567102
PubChem: 45005468...7 total

ref: mol2, SDF, SMILES, flexibase
3.73,10.02,-52.5,0,4,-1, 367.428, 4
24716686
 
#65

AKOS: AKOS004904027
MolMall (formerly Molecular Diversity Preservation International): 1090, 9475
TimTec: ST50993346
ChemDB: 5567096
PubChem: 6811411...11 total

ref: mol2, SDF, SMILES, flexibase
1.54,5.35,-47.08,3,5,0, 335.407, 4
24716689
 
#66

AKOS: AKOS004904027
MolMall (formerly Molecular Diversity Preservation International): 1090, 9475
TimTec: ST50993346
ChemDB: 5567096
PubChem: 6811411...11 total

ref: mol2, SDF, SMILES, flexibase
1.54,5.3,-48.85,3,5,0, 335.407, 4
4261429
 
#67

AKOS: AKOS004904023
MolMall (formerly Molecular Diversity Preservation International): 1089, 9474
ChemDB: 5567095
PubChem: 45005463, 51401870
ref: mol2, SDF, SMILES, flexibase
2.70,7.06,-51.19,0,4,-1, 305.357, 3
4261428
 
#68

AKOS: AKOS004900565
MolMall (formerly Molecular Diversity Preservation International): 1088, 9473
ChemDB: 5567093
PubChem: 6797689, 7156854, 5704614, 51401869, 45005462
ref: mol2, SDF, SMILES, flexibase
3.54,8.74,-51.44,0,4,-1, 333.411, 4
mid: mol2, SDF, SMILES, flexibase
4.38,8.04,-16.32,1,4,0, 334.419, 4

Similar to: 4261427,
4261427
 
#69

AKOS: AKOS004900565
MolMall (formerly Molecular Diversity Preservation International): 1088, 9473
ChemDB: 5567093
PubChem: 6797689, 7156853, 5704614, 51401868, 45005462
ref: mol2, SDF, SMILES, flexibase
3.54,8.73,-51.11,0,4,-1, 333.411, 4

Similar to: 4261428,
4701054
 
#70

AKOS: AKOS004900564
MolMall (formerly Molecular Diversity Preservation International): 1087, 9472
TimTec: ST50993350
ChemDB: 5567091
PubChem: 51405734...7 total

ref: mol2, SDF, SMILES, flexibase
6.22,12.53,-51.12,0,6,-1, 457.513, 5
lo: mol2, SDF, SMILES, flexibase
5.70,14.17,-13.61,1,6,0, 458.521, 5
24716683
 
#71

AKOS: AKOS004900577
MolMall (formerly Molecular Diversity Preservation International): 1085, 9470
TimTec: ST50993351
ChemDB: 5567088
PubChem: 6810503...11 total

ref: mol2, SDF, SMILES, flexibase
1.13,4.3,-64.81,3,5,0, 321.38, 4
1596461
 
#72

AKOS: AKOS004904009
MolMall (formerly Molecular Diversity Preservation International): 1080, 4681
ChemDB: 5567077
ref: mol2, SDF, SMILES, flexibase
0.94,5.22,-53.58,1,5,-1, 229.215, 3
3844332
 
#73

AKOS: AKOS004904008
MolMall (formerly Molecular Diversity Preservation International): 1079, 4680
ChemDB: 5567075
PubChem: 7053141, 2748536
ref: mol2, SDF, SMILES, flexibase
0.92,6.64,-51.55,0,4,-1, 246.267, 3

Similar to: 2584052,
3844331
 
#74

AKOS: AKOS004904007
MolMall (formerly Molecular Diversity Preservation International): 1078, 4679
ChemDB: 5567073
ref: mol2, SDF, SMILES, flexibase
1.99,0.54,-56.83,1,5,-1, 319.34, 5
1581714
 
#75

AKOS: AKOS004900575
MolMall (formerly Molecular Diversity Preservation International): 1077, 4678
NCI Diversity 3: 351110
NCI Plated 2007: 351110
ChEMBL19: CHEMBL2361309...8 total

ref: mol2, SDF, SMILES, flexibase
-0.73,3.81,-17.82,0,5,0, 183.163, 3
3844330
 
#76

AKOS: AKOS004900574
MolMall (formerly Molecular Diversity Preservation International): 1076, 4677
ChemDB: 5567070
PubChem: 2748534
ref: mol2, SDF, SMILES, flexibase
-0.83,4.87,-16.31,0,7,0, 198.134, 3
1620653
 
#77

ChemMol: 1202796, 44001837, 97800590, 96707657, 30112420
eMolecules: 502059
Molport: MolPort-001-757-090, MolPort-027-838-703
Scientific Exchange: POD_03/0530
Acorn PharmaTech: ACN-S001526...78 total

ref: mol2, SDF, SMILES, flexibase
-0.21,4.33,-13.22,0,5,0, 154.125, 1
331883
 
#78

ChemMol: 44033289, 96707589
Acros Organics: 13115
AKOS: AKOS004904002
Alfa-Aesar: A12578
Angene Building Blocks: AGN-PC-0BZLKH...45 total

ref: mol2, SDF, SMILES, flexibase
-0.10,3.79,-18.72,0,2,0, 109.128, 0

Similar to: 5688601, 39051705, 39236293, 39318165, ... 4 in total.
3844328
 
#79

AKOS: AKOS004904052
MolMall (Depleted): 3193
MolMall (formerly Molecular Diversity Preservation International): 1013
ChemDB: 5566979
PubChem: 2748476...6 total

ref: mol2, SDF, SMILES, flexibase
3.18,5.53,-8.08,1,8,0, 361.154, 6

Similar to: 34321092,
3844326
 
#80

eMolecules: 2054612
Mcule: MCULE-4976491343
MolMall (Depleted): 3174
MolMall (formerly Molecular Diversity Preservation International): 998
ChemDB: 4275482...9 total

ref: mol2, SDF, SMILES, flexibase
3.25,5.04,-8.87,1,5,0, 316.157, 5
2975509
 
#81

eMolecules: 2341008
Mcule: MCULE-6077988113
MolMall (Depleted): 3168
MolMall (formerly Molecular Diversity Preservation International): 996
ChemDB: 4275484...10 total

ref: mol2, SDF, SMILES, flexibase
3.27,4.6,-9.66,1,5,0, 316.157, 5

Similar to: 2282151,
3844290
 
#82

AKOS: AKOS004903814
MolMall (formerly Molecular Diversity Preservation International): 903, 1303
ChemDB: 5566844
PubChem: 2748395, 7053115
ref: mol2, SDF, SMILES, flexibase
3.77,2.2,-46.6,0,2,-1, 205.277, 4

Similar to: 36140613, 36140614, 36180408, 38274314, ... 4 in total.
3844289
 
#83

Molport: MolPort-007-552-821, MolPort-001-787-968
AKOS: AKOS003628791
Aldrich CPR: R207691|ALDRICH
ChemDiv: 2189-0117
Enamine: Z56767568...17 total

ref: mol2, SDF, SMILES, flexibase
8.20,17.81,-8.25,0,5,0, 473.698, 8

Similar to: 4583779, 4583780, 4583782, 4583783, 6134686, ... 13 in total.
3844288
 
#84

Molport: MolPort-007-552-821, MolPort-001-787-968
AKOS: AKOS003628791
Aldrich CPR: R207691|ALDRICH
ChemDiv: 2189-0117
Enamine: Z56767568...18 total

ref: mol2, SDF, SMILES, flexibase
8.20,17.82,-8.14,0,5,0, 473.698, 8

Similar to: 4583779, 4583780, 4583782, 4583783, 6134686, ... 13 in total.
3844287
 
#85

Molport: MolPort-007-552-821, MolPort-001-787-968
AKOS: AKOS003628791
Aldrich CPR: R207691|ALDRICH
ChemDiv: 2189-0117
Enamine: Z56767568...17 total

ref: mol2, SDF, SMILES, flexibase
8.20,17.61,-8.27,0,5,0, 473.698, 8

Similar to: 4583779, 4583780, 4583782, 4583783, 6134686, ... 13 in total.
3844286
 
#86

Molport: MolPort-007-552-821, MolPort-001-787-968
AKOS: AKOS003628791
Aldrich CPR: R207691|ALDRICH
ChemDiv: 2189-0117
Enamine: Z56767568...17 total

ref: mol2, SDF, SMILES, flexibase
8.20,17.72,-8.19,0,5,0, 473.698, 8

Similar to: 4583779, 4583780, 4583782, 4583783, 6134686, ... 13 in total.
3844262
 
#87

AKOS: AKOS000279547
MolMall (formerly Molecular Diversity Preservation International): 881, 1281
ChemDB: 5566812
PubChem: 7053088, 2748380
ref: mol2, SDF, SMILES, flexibase
4.54,2.68,-52.09,0,2,-1, 301.365, 2
3844258
 
#88

AKOS: AKOS004903733
MolMall (formerly Molecular Diversity Preservation International): 877, 1277
ChemDB: 5566804
PubChem: 2748376, 7053087
ref: mol2, SDF, SMILES, flexibase
3.78,0.01,-52.26,1,3,-1, 319.38, 2

Similar to: 39292788,
3844255
 
#89

AKOS: AKOS000278341
MolMall (formerly Molecular Diversity Preservation International): 875, 1275
ChemDB: 5566801
PubChem: 2748374
Ambinter: Amb2384078...6 total

ref: mol2, SDF, SMILES, flexibase
1.97,3.8,-10.3,0,9,0, 333.3, 8
3844254
 
#90

AKOS: AKOS004900567
MolMall (formerly Molecular Diversity Preservation International): 873, 1273
ChemDB: 5566798
PubChem: 5704609, 7053084, 2748372
Ambinter: Amb2384076...8 total

ref: mol2, SDF, SMILES, flexibase
5.59,2.63,-45.29,1,3,1, 366.525, 8
3844253
 
#91

MolMall (formerly Molecular Diversity Preservation International): 869, 1269
ChemDB: 5566794
PubChem: 7053082, 2748371
AKOS (make-on-demand): AKOS000278335
Ambinter: Amb2384074...7 total

ref: mol2, SDF, SMILES, flexibase
2.86,2.86,-56.53,0,5,-1, 327.356, 8

Similar to: 3639260, 3639259,
3844252
 
#92

MolMall (formerly Molecular Diversity Preservation International): 869, 1269
ChemDB: 5566794
PubChem: 7053080, 2748371
AKOS (make-on-demand): AKOS000278335
Ambinter: Amb2384074...7 total

ref: mol2, SDF, SMILES, flexibase
2.86,2.76,-55.92,0,5,-1, 327.356, 8

Similar to: 3639260, 3639259,
3844247
 
#93

MolMall (formerly Molecular Diversity Preservation International): 867, 1267
ChemDB: 5566790
PubChem: 7053074, 2748369
AKOS (make-on-demand): AKOS000278337
Ambinter: Amb2384072...7 total

ref: mol2, SDF, SMILES, flexibase
3.31,2.01,-55.18,0,3,-1, 267.304, 6
3844246
 
#94

MolMall (formerly Molecular Diversity Preservation International): 867, 1267
ChemDB: 5566790
PubChem: 7053072, 2748369
AKOS (make-on-demand): AKOS000278337
Ambinter: Amb2384072...7 total

ref: mol2, SDF, SMILES, flexibase
3.31,1.93,-50.46,0,3,-1, 267.304, 6
3844241
 
#95

MolMall (formerly Molecular Diversity Preservation International): 865, 1265
ChemDB: 5566786
PubChem: 7053066, 2748367
AKOS (make-on-demand): AKOS000278362
Ambinter: Amb2384070...7 total

ref: mol2, SDF, SMILES, flexibase
3.43,2.08,-51.64,0,5,-1, 327.356, 8

Similar to: 33822921, 39046546, 39046547, 39387401, 39387402, ... 11 in total.
3844240
 
#96

MolMall (formerly Molecular Diversity Preservation International): 865, 1265
ChemDB: 5566786
PubChem: 7053064, 2748367
AKOS (make-on-demand): AKOS000278362
Ambinter: Amb2384070...7 total

ref: mol2, SDF, SMILES, flexibase
3.43,1.99,-51.51,0,5,-1, 327.356, 8

Similar to: 33822921, 38261215, 38261216, 38261217, 38261218, ... 15 in total.
3844233
 
#97

MolMall (formerly Molecular Diversity Preservation International): 862, 1262
ChemDB: 5566781
PubChem: 7053056, 2748364
AKOS (make-on-demand): AKOS000278354
Ambinter: Amb2384067...7 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.74,-54.75,0,7,-1, 387.408, 10

Similar to: 39046546, 39046547,
3844232
 
#98

MolMall (formerly Molecular Diversity Preservation International): 862, 1262
ChemDB: 5566781
PubChem: 7053054, 2748364
AKOS (make-on-demand): AKOS000278354
Ambinter: Amb2384067...7 total

ref: mol2, SDF, SMILES, flexibase
2.61,2.65,-53.71,0,7,-1, 387.408, 10

Similar to: 39046546, 39046547,
1683205
 
#99

ChemMol: 44019699
Molport: MolPort-001-762-428
AKOS: AKOS000278358
Aldrich CPR: S646202|ALDRICH
American Custom Chemicals Corp.: CHM0018306...42 total

ref: mol2, SDF, SMILES, flexibase
4.41,3.19,-14.59,0,6,0, 270.244, 4

Similar to: 5053079, 34446652, 34569376, 38761317, ... 4 in total.
3205133
 
#100

AKOS: AKOS000278347
MolMall (formerly Molecular Diversity Preservation International): 854, 1254
ChemDB: 5566768
PubChem: 622663
SureChEMBL: SCHEMBL14664048...7 total

ref: mol2, SDF, SMILES, flexibase
3.28,3.58,-10.45,0,6,0, 268.228, 2

Similar to: 34622860, 34865779, 39133568,

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 = 176 ) limit 0,100

Smiles were