ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
21035127
#1
  
 | eMolecules: 17475075
Molport: MolPort-007-856-218
AKOS: AKOS002012658
Mcule: MCULE-9500080281
Innovapharm Make-on-Demand: VT-00672983...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.90,7.17,-9.99,1,6,0, 326.4, 4
|  |
15778072
#2
| eMolecules: 16312963
Molport: MolPort-007-856-219
AKOS: AKOS002012659
Mcule: MCULE-2521486368
PubChem: 20959543...7 total
ref: mol2,
SDF,
SMILES,
flexibase
3.13,6.91,-12.54,1,6,0, 346.818, 4
|  |
15778074
#3
| eMolecules: 16312965
Molport: MolPort-007-856-220
AKOS: AKOS002012753
Mcule: MCULE-2943545637
PubChem: 20959544...7 total
ref: mol2,
SDF,
SMILES,
flexibase
3.01,7.97,-9.28,1,5,0, 314.364, 3
|  |
39479206
#4
| eMolecules: 31245930
Molport: MolPort-005-112-660
ChemBridge: 62625773
Mcule: MCULE-5261019176
Collaborative Drug Discovery: 542319...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.75,3.49,-15.47,0,7,0, 336.369, 3
|  |
21637755
#5
| eMolecules: 17475077
Molport: MolPort-007-856-221
AKOS: AKOS002012754
Mcule: MCULE-7551940579
Innovapharm Make-on-Demand: VT-00674407...10 total
ref: mol2,
SDF,
SMILES,
flexibase
0.65,2.39,-11.85,1,7,0, 319.409, 5
mid: mol2,
SDF,
SMILES,
flexibase
0.65,4.73,-51.35,2,7,1, 320.417, 5
Similar to: 19714731, 19714732, 19714794, 19714795, ... 4 in total.
|  |
64152149
#6
| Mcule: MCULE-5439020677
Collaborative Drug Discovery: 542320
PubChem: 45226690
Ambinter: Amb11092314
Mcule Make-on-demand: MCULE-5439020677...5 total
ref: mol2,
SDF,
SMILES,
flexibase
1.65,4.83,-12.06,1,4,0, 273.258, 3
|  |
64152147
#7
| Mcule: MCULE-5439020677
Collaborative Drug Discovery: 542320
PubChem: 45226690
Ambinter: Amb11092314
Mcule Make-on-demand: MCULE-5439020677...5 total
ref: mol2,
SDF,
SMILES,
flexibase
1.65,4.82,-11.69,1,4,0, 273.258, 3
|  |
12303748
#8
| eMolecules: 20642575
Molport: MolPort-005-112-663
ChemBridge: 62626304
Mcule: MCULE-4394981587
Collaborative Drug Discovery: 542322...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.68,-1.08,-16.82,0,5,0, 375.881, 3
|  |
15778076
#9
| eMolecules: 16312967
Molport: MolPort-007-856-222
AKOS: AKOS002012847
Mcule: MCULE-7388229757
Innovapharm Make-on-Demand: VT-00672956...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.52,6.18,-10.7,1,6,0, 312.373, 4
|  |
72447170
#10
| eMolecules: 43138900
Molport: MolPort-021-764-182
ChemBridge: 62626398
Mcule: MCULE-3815486455
PubChem: 56903037...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.42,11.33,-17.15,1,7,0, 351.389, 6
|  |
19794940
#11
| eMolecules: 23825406
Molport: MolPort-005-112-665
Mcule: MCULE-4722218288
ChemBridge (Depleted): 62626881
Collaborative Drug Discovery: 542323...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.54,5.39,-20.96,1,6,0, 346.406, 5
|  |
19794941
#12
| eMolecules: 23825406
Molport: MolPort-005-112-665
Mcule: MCULE-4722218288
ChemBridge (Depleted): 62626881
Collaborative Drug Discovery: 542323...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.54,5.53,-21.49,1,6,0, 346.406, 5
|  |
72447172
#13
| eMolecules: 43138902
Molport: MolPort-021-764-183
ChemBridge: 62628343
Mcule: MCULE-7898800294
Ambinter: Amb19633976...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.24,8.65,-12.01,1,5,0, 342.487, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.24,10.88,-46.31,2,5,1, 343.495, 6
|  |
72447171
#14
| eMolecules: 43138902
Molport: MolPort-021-764-183
ChemBridge: 62628343
Mcule: MCULE-7898800294
Individual Suppliers: 2-methyl-4-(4-{[3-(4-methyl-4H-1,2,4-triazol-3-yl)...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.24,8.65,-11.74,1,5,0, 342.487, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.24,10.88,-45.77,2,5,1, 343.495, 6
|  |
3182759
#15
| eMolecules: 2923439
Molport: MolPort-003-996-083
Enamine: Z56783112
Mcule: MCULE-8457583904
ChemDB: 6544251...8 total
ref: mol2,
SDF,
SMILES,
flexibase
4.10,2.35,-22.43,0,5,0, 336.354, 0
Similar to: 32164209, 37868920, 39382471,
|  |
12303759
#16
| eMolecules: 20642591
Molport: MolPort-005-112-672
ChemBridge: 62630864
Mcule: MCULE-3801734374
Collaborative Drug Discovery: 542329...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.91,-0.33,-16.45,1,8,0, 403.439, 9
|  |
72447173
#17
| eMolecules: 43138904
Molport: MolPort-021-764-184
ChemBridge: 62631350
Mcule: MCULE-1857384237
Mcule Make-on-demand: MCULE-1857384237...5 total
ref: mol2,
SDF,
SMILES,
flexibase
0.49,8.54,-17.49,1,9,0, 363.429, 6
|  |
8608726
#18
| eMolecules: 16312971
Molport: MolPort-007-856-224
AKOS: AKOS002012938
Mcule: MCULE-1272330334
Innovapharm Make-on-Demand: VT-00672959...10 total
ref: mol2,
SDF,
SMILES,
flexibase
2.37,9.13,-12.5,1,6,0, 324.384, 4
Similar to: 21637885, 21638058, 21638211, 21638568, 21638633, ... 10 in total.
|  |
12303761
#19
| eMolecules: 20642595
Molport: MolPort-005-112-674
Mcule: MCULE-8887152923
ChEMBL12: CHEMBL1418794
ChEMBL19: CHEMBL1418794...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.32,8.99,-16.48,1,6,0, 366.845, 7
|  |
12303763
#20
| eMolecules: 20642595
Molport: MolPort-005-112-674
Mcule: MCULE-8887152923
ChEMBL12: CHEMBL1418794
ChEMBL19: CHEMBL1418794...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.32,-0.23,-15.75,1,6,0, 366.845, 7
|  |
40761987
#21
| eMolecules: 32200546
Molport: MolPort-008-199-400
Mcule: MCULE-4370036198
Princeton BioMolecular Research: OSSL_333021
Vitas-M: STL258045...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.91,5.12,-23.54,2,8,0, 338.371, 6
|  |
40761906
#22
| eMolecules: 32200548
Molport: MolPort-008-199-360
Mcule: MCULE-8470945333
Princeton BioMolecular Research: OSSL_333022
Vitas-M: STL258046...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.13,6.25,-17.27,2,6,0, 340.408, 5
|  |
40761617
#23
| eMolecules: 32200550
Molport: MolPort-008-199-224
Mcule: MCULE-1141050220
Princeton BioMolecular Research: OSSL_333023
Vitas-M: STL258047...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.53,7.04,-18.46,2,6,0, 320.352, 4
|  |
40761778
#24
| eMolecules: 32200560
Molport: MolPort-008-199-299
Mcule: MCULE-7108669755
Princeton BioMolecular Research: OSSL_333028
Vitas-M: STL258048...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.23,8.13,-18.24,1,6,0, 326.4, 3
|  |
19794945
#25
| eMolecules: 20642605
Molport: MolPort-005-112-679
ChemBridge: 62634164
Mcule: MCULE-5675137068
Collaborative Drug Discovery: 542334...7 total
ref: mol2,
SDF,
SMILES,
flexibase
3.57,10.75,-22.71,2,7,0, 403.486, 4
|  |
37868920
#26
| eMolecules: 2923454
Molport: MolPort-003-996-087
Enamine: Z56783123
Mcule: MCULE-1691273272
ChEMBL12: CHEMBL1485706...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.70,11.13,-23.44,0,5,0, 322.327, 0
Similar to: 39382471, 3182759, 32164209,
|  |
72447174
#27
| eMolecules: 43138910
Molport: MolPort-021-764-185
ChemBridge: 62635933
Mcule: MCULE-1093698032
Mcule Make-on-demand: MCULE-1093698032...5 total
ref: mol2,
SDF,
SMILES,
flexibase
1.73,4.3,-14.37,0,6,0, 390.505, 3
|  |
15778082
#28
| eMolecules: 16312977
Molport: MolPort-007-856-225
AKOS: AKOS002012939
Mcule: MCULE-5087547072
Innovapharm Make-on-Demand: VT-00672936...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.28,7.68,-8.99,1,5,0, 361.243, 3
|  |
19794946
#29
| eMolecules: 23825408
Molport: MolPort-005-112-687
ChemBridge: 62638428
Mcule: MCULE-8196756907
Collaborative Drug Discovery: 542339...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.25,4.88,-15.34,1,6,0, 328.368, 2
|  |
19794947
#30
| eMolecules: 23825408
Molport: MolPort-005-112-687
ChemBridge: 62638428
Mcule: MCULE-8196756907
Collaborative Drug Discovery: 542339...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.25,4.81,-13.86,1,6,0, 328.368, 2
|  |
19794948
#31
| eMolecules: 20642621
Molport: MolPort-005-112-688
ChemBridge: 62639364
Mcule: MCULE-4469240220
Collaborative Drug Discovery: 542340...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.50,8.49,-13.66,2,4,0, 331.419, 4
mid: mol2,
SDF,
SMILES,
flexibase
2.50,8.92,-40.91,3,4,1, 332.427, 4
|  |
40745827
#32
| eMolecules: 32200570
Molport: MolPort-008-194-550
Mcule: MCULE-2653746266
Princeton BioMolecular Research: OSSL_333033
Vitas-M: STL258049...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.39,4.26,-15.56,2,7,0, 330.369, 5
|  |
15778084
#33
| eMolecules: 16312979
Molport: MolPort-007-856-226
AKOS: AKOS002013031
Mcule: MCULE-2874925581
PubChem: 20959550...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.64,7.71,-11.98,1,7,0, 340.383, 5
|  |
40745717
#34
| eMolecules: 32200572
Molport: MolPort-008-194-448
Mcule: MCULE-9606681962
Princeton BioMolecular Research: OSSL_333034
Vitas-M: STL258050...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.00,4.86,-16.01,2,7,0, 316.361, 4
|  |
40745703
#35
| eMolecules: 32200580
Molport: MolPort-008-194-434
Mcule: MCULE-2197902749
Princeton BioMolecular Research: OSSL_333038
Vitas-M: STL258051...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.82,4.35,-19.87,2,8,0, 340.339, 5
|  |
57279294
#36
| eMolecules: 32200584
Molport: MolPort-019-854-914
Mcule: MCULE-8579460289
Princeton BioMolecular Research: OSSL_333040
Vitas-M: STL258052...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.94,5.34,-21.5,2,8,0, 325.328, 4
|  |
57279299
#37
| eMolecules: 32200588
Molport: MolPort-019-854-915
Mcule: MCULE-7775914799
Princeton BioMolecular Research: OSSL_333042
Vitas-M: STL258053...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.96,6.95,-16.29,1,7,0, 330.388, 3
|  |
57279298
#38
| eMolecules: 32200588
Molport: MolPort-019-854-915
Mcule: MCULE-7775914799
Princeton BioMolecular Research: OSSL_333042
Vitas-M: STL258053...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.96,6.98,-16.37,1,7,0, 330.388, 3
|  |
72447176
#39
| eMolecules: 43138912
Molport: MolPort-021-764-186
ChemBridge: 62639652
Mcule: MCULE-2920852903
PubChem: 56903040...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.35,8.05,-12.13,0,5,0, 368.524, 4
|  |
72447175
#40
| eMolecules: 43138912
Molport: MolPort-021-764-186
ChemBridge: 62639652
Mcule: MCULE-2920852903
PubChem: 56903040...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.35,8.11,-12.58,0,5,0, 368.524, 4
|  |
21637768
#41
| eMolecules: 17475083
Molport: MolPort-007-856-227
AKOS: AKOS002013032
Mcule: MCULE-8051244921
PubChem: 46345512...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.43,6.49,-16.28,1,7,0, 329.404, 5
|  |
23429890
#42
| eMolecules: 24862333
Molport: MolPort-005-112-690
ChemBridge: 62640725
Mcule: MCULE-3729141464
Collaborative Drug Discovery: 542341...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.60,7.02,-24.35,1,7,0, 324.388, 6
lo: mol2,
SDF,
SMILES,
flexibase
1.60,7.46,-50.44,2,7,1, 325.396, 6
|  |
15778086
#43
| eMolecules: 16312983
Molport: MolPort-007-856-228
AKOS: AKOS002013120
Mcule: MCULE-7558586115
PubChem: 20959551...7 total
ref: mol2,
SDF,
SMILES,
flexibase
3.25,7.67,-10.48,1,5,0, 361.243, 3
|  |
12303785
#44
| eMolecules: 20642627
Molport: MolPort-005-112-692
Mcule: MCULE-2390691496
ChemBridge (Depleted): 62641206
Collaborative Drug Discovery: 542342...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.46,2.98,-13.13,0,5,0, 338.386, 5
|  |
12303788
#45
| eMolecules: 20642627
Molport: MolPort-005-112-692
Mcule: MCULE-2390691496
ChemBridge (Depleted): 62641206
Collaborative Drug Discovery: 542342...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.46,2.9,-13.19,0,5,0, 338.386, 5
|  |
3182792
#46
| eMolecules: 2923488
Molport: MolPort-003-996-088
Chembo Pharma: KB-213464
Enamine: Z56783144
Mcule: MCULE-2116743320...9 total
ref: mol2,
SDF,
SMILES,
flexibase
4.50,-1.62,-11.69,2,4,0, 324.211, 3
Similar to: 40162589, 43191247,
|  |
39479208
#47
| eMolecules: 20642629
Molport: MolPort-005-112-693
Mcule: MCULE-7607531108
ChemBridge (Depleted): 62641788
Collaborative Drug Discovery: 542343...10 total
ref: mol2,
SDF,
SMILES,
flexibase
1.70,4.48,-14.99,3,5,0, 351.45, 7
|  |
57279295
#48
| eMolecules: 32200588
Molport: MolPort-019-854-915
Mcule: MCULE-7775914799
Princeton BioMolecular Research: OSSL_333042
Vitas-M: STL258053...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.96,6.71,-16.35,1,7,0, 330.388, 3
|  |
57279305
#49
| eMolecules: 32200596
Molport: MolPort-019-854-917
Mcule: MCULE-7202510169
Princeton BioMolecular Research: OSSL_333046
Vitas-M: STL258054...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.48,6.14,-16.53,1,7,0, 316.361, 3
|  |
57279303
#50
| eMolecules: 32200596
Molport: MolPort-019-854-917
Mcule: MCULE-7202510169
Princeton BioMolecular Research: OSSL_333046
Vitas-M: STL258054...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.48,6.16,-16.68,1,7,0, 316.361, 3
|  |
40745735
#51
| eMolecules: 32200602
Molport: MolPort-008-194-463
Mcule: MCULE-7136642370
Princeton BioMolecular Research: OSSL_333049
Vitas-M: STL258055...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.49,5.14,-15.84,2,7,0, 324.34, 5
Similar to: 40745737, 40745751, 40745752, 40745754, 40745818, ... 5 in total.
|  |
40746067
#52
| eMolecules: 32200610
Molport: MolPort-008-194-782
Mcule: MCULE-1969577572
Princeton BioMolecular Research: OSSL_333053
Vitas-M: STL258056...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.38,5.59,-19.33,2,8,0, 344.4, 5
|  |
21637776
#53
| eMolecules: 17475085
Molport: MolPort-007-856-230
AKOS: AKOS002011642
Mcule: MCULE-5841973876
Innovapharm Make-on-Demand: VT-00674419...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.47,6.79,-12.38,1,5,0, 316.43, 5
Similar to: 21638259, 12203906, 12203912, 12203915, 12203921, ... 5 in total.
|  |
72447177
#54
| eMolecules: 43138918
Molport: MolPort-021-764-187
ChemBridge: 62641963
Mcule: MCULE-6616710475
Ambinter: Amb19633988...6 total
ref: mol2,
SDF,
SMILES,
flexibase
2.62,7.39,-11.32,1,6,0, 364.449, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.62,7.69,-39.31,2,6,1, 365.457, 6
|  |
12303793
#55
| eMolecules: 20642635
Molport: MolPort-005-112-696
ChemBridge: 62643938
Mcule: MCULE-7132777198
Collaborative Drug Discovery: 542345...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.53,-1.37,-12.89,0,5,0, 406.526, 5
|  |
12303792
#56
| eMolecules: 20642635
Molport: MolPort-005-112-696
ChemBridge: 62643938
Mcule: MCULE-7132777198
Collaborative Drug Discovery: 542345...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.53,-1.37,-12.38,0,5,0, 406.526, 5
|  |
8608740
#57
| eMolecules: 16312987
Molport: MolPort-007-856-232
AKOS: AKOS002011747
Mcule: MCULE-2267432126
ChEMBL19: CHEMBL1894518...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.21,7.49,-10.98,1,7,0, 356.426, 6
Similar to: 21637907, 21638040, 21638273, 21638281, 21638355, ... 11 in total.
|  |
12303797
#58
| eMolecules: 20642639
Molport: MolPort-005-112-698
ChemBridge: 62644547
Mcule: MCULE-5565355016
Collaborative Drug Discovery: 542347...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.11,0.25,-13.61,1,6,0, 385.88, 4
|  |
40746046
#59
| eMolecules: 32200620
Molport: MolPort-008-194-761
Mcule: MCULE-6265459820
Princeton BioMolecular Research: OSSL_333058
Vitas-M: STL258057...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.18,4.62,-21.29,2,8,0, 344.4, 5
|  |
12303798
#60
| eMolecules: 20642639
Molport: MolPort-005-112-698
ChemBridge: 62644547
Mcule: MCULE-5565355016
Collaborative Drug Discovery: 542347...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.11,0.27,-14.52,1,6,0, 385.88, 4
|  |
15778088
#61
| eMolecules: 16312989
Molport: MolPort-007-856-233
AKOS: AKOS002011748
Mcule: MCULE-3096438586
PubChem: 20959552...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.21,5.78,-10.05,1,7,0, 356.426, 6
|  |
40745878
#62
| eMolecules: 32200632
Molport: MolPort-008-194-601
Mcule: MCULE-1713980882
Princeton BioMolecular Research: OSSL_333064
Vitas-M: STL258058...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.88,6.68,-17.41,2,6,0, 340.408, 4
Similar to: 40745879, 40746007,
|  |
40745881
#63
| eMolecules: 32200634
Molport: MolPort-008-194-604
Mcule: MCULE-1048712561
Princeton BioMolecular Research: OSSL_333065
Vitas-M: STL258059...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.57,6.09,-19.23,2,6,0, 344.371, 4
|  |
40746019
#64
| eMolecules: 32200644
Molport: MolPort-008-194-734
Mcule: MCULE-3201437535
Princeton BioMolecular Research: OSSL_333070
Vitas-M: STL258060...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.96,4.27,-18.58,2,7,0, 341.396, 5
lo: mol2,
SDF,
SMILES,
flexibase
0.96,4.67,-43.74,3,7,1, 342.404, 5
|  |
40745956
#65
| eMolecules: 32200662
Molport: MolPort-008-194-674
Mcule: MCULE-5055296117
Princeton BioMolecular Research: OSSL_333079
Vitas-M: STL258061...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.13,7.11,-17.07,1,6,0, 332.429, 3
Similar to: 40745955,
|  |
40769060
#66
| eMolecules: 32200702
Molport: MolPort-008-201-386
Mcule: MCULE-6703511605
Princeton BioMolecular Research: OSSL_333099
Vitas-M: STL258062...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.40,4.69,-11.88,1,6,0, 288.351, 5
|  |
40758811
#67
| eMolecules: 32200718
Molport: MolPort-008-197-875
Mcule: MCULE-8554352860
Princeton BioMolecular Research: OSSL_333107
Vitas-M: STL258063...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.03,8.22,-10.25,1,4,0, 311.36, 5
|  |
57279332
#68
| eMolecules: 32200722
Molport: MolPort-019-854-929
Mcule: MCULE-7134649331
Princeton BioMolecular Research: OSSL_333109
Vitas-M: STL258064...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.28,7.83,-8.98,1,4,0, 285.391, 5
|  |
40758601
#69
| eMolecules: 32200738
Molport: MolPort-008-197-778
Mcule: MCULE-5049094964
Princeton BioMolecular Research: OSSL_333117
Vitas-M: STL258065...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.40,7.83,-9.23,1,4,0, 285.391, 4
|  |
40758637
#70
| eMolecules: 32200784
Molport: MolPort-008-197-793
Mcule: MCULE-4553234073
Princeton BioMolecular Research: OSSL_333140
Vitas-M: STL258066...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.89,8.15,-9.18,1,4,0, 293.37, 5
|  |
40758647
#71
| eMolecules: 32200790
Molport: MolPort-008-197-798
Mcule: MCULE-9439693241
Princeton BioMolecular Research: OSSL_333143
Vitas-M: STL258067...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.78,6.81,-12.06,1,6,0, 337.379, 5
|  |
40758657
#72
| eMolecules: 32200792
Molport: MolPort-008-197-802
Mcule: MCULE-4562956636
Princeton BioMolecular Research: OSSL_333144
Vitas-M: STL258068...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.30,8.92,-10.9,1,4,0, 307.397, 6
|  |
57279354
#73
| eMolecules: 32200808
Molport: MolPort-019-854-938
Mcule: MCULE-5383327429
Princeton BioMolecular Research: OSSL_333152
Vitas-M: STL258069...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.85,6.64,-12.28,1,6,0, 331.807, 6
|  |
40759594
#74
| eMolecules: 32200812
Molport: MolPort-008-198-250
Mcule: MCULE-5432291276
Princeton BioMolecular Research: OSSL_333154
Vitas-M: STL258070...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.00,7.09,-8.65,1,4,0, 319.817, 5
|  |
57279358
#75
| eMolecules: 32200822
Molport: MolPort-019-854-940
Mcule: MCULE-9187267997
Princeton BioMolecular Research: OSSL_333159
Vitas-M: STL258071...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.03,5.89,-12.42,2,5,0, 343.814, 6
|  |
57279425
#76
| eMolecules: 32200920
Molport: MolPort-019-854-975
Mcule: MCULE-7351992518
Princeton BioMolecular Research: OSSL_333208
Vitas-M: STL258072...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.21,3.26,-19.78,1,10,0, 391.457, 9
|  |
57279427
#77
| eMolecules: 32200922
Molport: MolPort-019-854-976
Mcule: MCULE-8330644944
Princeton BioMolecular Research: OSSL_333209
Vitas-M: STL258073...7 total
ref: mol2,
SDF,
SMILES,
flexibase
0.94,2.49,-16.11,1,10,0, 377.43, 8
|  |
57279428
#78
| eMolecules: 32200924
Molport: MolPort-019-854-977
Mcule: MCULE-5453589057
Princeton BioMolecular Research: OSSL_333210
Vitas-M: STL258074...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.08,3.3,-18.02,1,10,0, 405.484, 7
|  |
57279431
#79
| eMolecules: 32200928
Molport: MolPort-019-854-979
Mcule: MCULE-3594817343
Princeton BioMolecular Research: OSSL_333212
Vitas-M: STL258075...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.16,3.62,-14.47,1,8,0, 379.467, 7
|  |
57279433
#80
| eMolecules: 32200930
Molport: MolPort-019-854-980
Mcule: MCULE-5519608580
Princeton BioMolecular Research: OSSL_333213
Vitas-M: STL258076...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.40,5.69,-13.95,0,9,0, 442.545, 7
lo: mol2,
SDF,
SMILES,
flexibase
2.40,7.9,-55.66,1,9,1, 443.553, 7
|  |
57279441
#81
| eMolecules: 32200938
Molport: MolPort-019-854-984
Mcule: MCULE-1914750385
Princeton BioMolecular Research: OSSL_333217
Vitas-M: STL258077...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.31,2.97,-24.17,1,10,0, 377.43, 7
mid: mol2,
SDF,
SMILES,
flexibase
1.31,2.98,-61.03,0,10,-1, 376.422, 7
|  |
57279450
#82
| eMolecules: 32200946
Molport: MolPort-019-854-988
Mcule: MCULE-3207169989
Princeton BioMolecular Research: OSSL_333221
Vitas-M: STL258078...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.40,5.57,-13.95,0,8,0, 393.494, 7
|  |
57279452
#83
| eMolecules: 32200948
Molport: MolPort-019-854-989
Mcule: MCULE-3654757021
Princeton BioMolecular Research: OSSL_333222
Vitas-M: STL258079...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.38,4.53,-14.43,1,8,0, 391.428, 7
|  |
57279454
#84
| eMolecules: 32200950
Molport: MolPort-019-854-990
Mcule: MCULE-9976112690
Princeton BioMolecular Research: OSSL_333223
Vitas-M: STL258080...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.40,4.58,-14.84,1,8,0, 391.428, 7
|  |
57279456
#85
| eMolecules: 32200952
Molport: MolPort-019-854-991
Mcule: MCULE-7235940927
Princeton BioMolecular Research: OSSL_333224
Vitas-M: STL258081...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.66,5.16,-13.98,1,8,0, 387.465, 7
|  |
57279457
#86
| eMolecules: 32200954
Molport: MolPort-019-854-992
Mcule: MCULE-6583541746
Princeton BioMolecular Research: OSSL_333225
Vitas-M: STL258082...7 total
ref: mol2,
SDF,
SMILES,
flexibase
3.12,5.97,-14.07,1,8,0, 401.492, 8
|  |
57279460
#87
| eMolecules: 32200956
Molport: MolPort-019-854-993
Mcule: MCULE-7075711073
Princeton BioMolecular Research: OSSL_333226
Vitas-M: STL258083...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.69,5.18,-13.97,1,8,0, 387.465, 7
|  |
57279464
#88
| eMolecules: 32200960
Molport: MolPort-019-854-995
Mcule: MCULE-1571884309
Princeton BioMolecular Research: OSSL_333228
Vitas-M: STL258084...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.29,3.81,-15.15,1,9,0, 403.464, 8
|  |
57279470
#89
| eMolecules: 32200966
Molport: MolPort-019-854-998
Mcule: MCULE-5659415258
Princeton BioMolecular Research: OSSL_333231
Vitas-M: STL258086...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.10,5.28,-14.99,1,8,0, 391.428, 6
mid: mol2,
SDF,
SMILES,
flexibase
3.10,5.23,-46.01,0,8,-1, 390.42, 6
|  |
57279474
#90
| eMolecules: 32200968
Molport: MolPort-019-854-999
Mcule: MCULE-7436683940
Princeton BioMolecular Research: OSSL_333232
Vitas-M: STL258087...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.38,-0.56,-23.43,1,10,0, 401.47, 6
|  |
57279472
#91
| eMolecules: 32200968
Molport: MolPort-019-854-999
Mcule: MCULE-7436683940
Princeton BioMolecular Research: OSSL_333232
Vitas-M: STL258087...8 total
ref: mol2,
SDF,
SMILES,
flexibase
0.38,-0.7,-23.85,1,10,0, 401.47, 6
|  |
57279482
#92
| eMolecules: 32200976
Molport: MolPort-019-855-003
Mcule: MCULE-5926808440
Princeton BioMolecular Research: OSSL_333236
Vitas-M: STL258088...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.77,3.8,-13.29,1,8,0, 365.459, 6
|  |
57279484
#93
| eMolecules: 32200978
Molport: MolPort-019-855-004
Mcule: MCULE-7347978658
Princeton BioMolecular Research: OSSL_333237
Vitas-M: STL258089...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.82,4.05,-13.17,1,8,0, 395.391, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.82,4.55,-40.82,0,8,-1, 394.383, 6
|  |
57279486
#94
| eMolecules: 32200980
Molport: MolPort-019-855-005
Mcule: MCULE-6949024903
Princeton BioMolecular Research: OSSL_333238
Vitas-M: STL258090...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.39,5.73,-13.25,1,8,0, 387.465, 6
hi: mol2,
SDF,
SMILES,
flexibase
3.39,5.73,-48.71,0,8,-1, 386.457, 6
|  |
57279496
#95
| eMolecules: 32200992
Molport: MolPort-019-855-011
Mcule: MCULE-1612649032
Princeton BioMolecular Research: OSSL_333244
Vitas-M: STL258091...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.26,3.43,-13.38,1,8,0, 351.432, 6
|  |
57279507
#96
| eMolecules: 32201002
Molport: MolPort-019-855-016
Mcule: MCULE-5394679443
Princeton BioMolecular Research: OSSL_333249
Vitas-M: STL258093...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.82,4.52,-14.66,1,8,0, 395.391, 6
mid: mol2,
SDF,
SMILES,
flexibase
2.82,4.52,-38.15,0,8,-1, 394.383, 6
|  |
57279513
#97
| eMolecules: 32201010
Molport: MolPort-019-855-020
Mcule: MCULE-9808898237
Princeton BioMolecular Research: OSSL_333253
Vitas-M: STL258094...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.53,4.19,-13.65,1,9,0, 443.407, 8
mid: mol2,
SDF,
SMILES,
flexibase
3.53,4.19,-40.31,0,9,-1, 442.399, 8
|  |
57279526
#98
| eMolecules: 32201012
Molport: MolPort-019-855-021
Mcule: MCULE-9214966532
Princeton BioMolecular Research: OSSL_333254
Vitas-M: STL258095...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.02,2.73,-15.8,1,9,0, 374.426, 7
|  |
57279532
#99
| eMolecules: 32201022
Molport: MolPort-019-855-026
Mcule: MCULE-4105759230
Princeton BioMolecular Research: OSSL_333259
Vitas-M: STL258096...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.81,7.1,-14.82,0,9,0, 446.508, 6
|  |
57279533
#100
| eMolecules: 32201024
Molport: MolPort-019-855-027
Mcule: MCULE-6862423728
Princeton BioMolecular Research: OSSL_333260
Vitas-M: STL258097...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.50,6.6,-13.15,0,8,0, 399.476, 5
|  |
Old detail retrieval took 2 seconds.
select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 719 ) limit 0,100
