ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
13117938
#1
  
 | AKOS: AKOS001283558
Mcule: MCULE-9005491581, MCULE-7228254967
UORSY: PB203120340
PubChem: 16322555, 16322556
Mcule Make-on-demand: MCULE-7228254967...8 total
ref: mol2,
SDF,
SMILES,
flexibase
-1.13,13.6,-43.69,0,9,1, 520.664, 5
Similar to: 16565788, 45698031,
|  |
43528444
#2
| eMolecules: 36633738
Molport: MolPort-010-121-799
AKOS: AKOS008129333
Enamine: Z411171236
Mcule: MCULE-7293321088...8 total
ref: mol2,
SDF,
SMILES,
flexibase
1.93,5.79,-19.75,1,8,0, 394.497, 6
Similar to: 43185318, 43491760, 43381464,
|  |
4942457
#3
| eMolecules: 3653768
Molport: MolPort-003-177-219
AKOS: AKOS001207563
IBScreen: STOCK6S-47191
Life Chemicals: F3032-0030...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.60,-0.87,-12.82,0,5,0, 322.393, 2
Similar to: 4942458,
|  |
4942458
#4
| eMolecules: 3653768
Molport: MolPort-003-177-219
AKOS: AKOS001207563
IBScreen: STOCK6S-47191
Life Chemicals: F3032-0030...13 total
ref: mol2,
SDF,
SMILES,
flexibase
2.60,-0.92,-12.79,0,5,0, 322.393, 2
Similar to: 4942457,
|  |
13098530
#5
| AKOS: AKOS001207439
Mcule: MCULE-5574795212
UORSY: PB166708464
PubChem: 16279793
Mcule Make-on-demand: MCULE-5574795212...5 total
ref: mol2,
SDF,
SMILES,
flexibase
6.88,15.46,-15.17,0,4,0, 462.521, 8
Similar to: 4221415,
|  |
7786557
#6
| AKOS: AKOS001207315
Mcule: MCULE-1751342209
UORSY: PB166708458
PubChem: 9744311
Mcule Make-on-demand: MCULE-1751342209...5 total
ref: mol2,
SDF,
SMILES,
flexibase
3.99,1.5,-10.5,1,6,0, 348.406, 8
|  |
13098528
#7
| eMolecules: 45601382
Molport: MolPort-004-498-025
AKOS: AKOS001207190
Enamine: Z166630982
Mcule: MCULE-4078250870...9 total
ref: mol2,
SDF,
SMILES,
flexibase
7.17,15,-12.79,0,3,0, 451.378, 6
|  |
13098527
#8
| AKOS: AKOS001207189
Mcule: MCULE-5007382423
UORSY: PB166708428
PubChem: 44482643, 16279612
UPCMLD: 85769669...7 total
ref: mol2,
SDF,
SMILES,
flexibase
8.31,17.76,-10.68,0,3,0, 466.65, 8
|  |
5043632
#9
| eMolecules: 5636199
Molport: MolPort-003-177-996
AKOS: AKOS001207930
Life Chemicals: F3074-0021
Mcule: MCULE-6092607397...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.08,3.66,-15.24,0,6,0, 394.471, 8
Similar to: 5043634, 5043629, 5043631,
|  |
5043634
#10
| eMolecules: 5636199
Molport: MolPort-003-177-996
AKOS: AKOS001207930
Life Chemicals: F3074-0021
Mcule: MCULE-6092607397...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.08,3.69,-15.46,0,6,0, 394.471, 8
Similar to: 5043629, 5043631, 5043632,
|  |
4748883
#11
| eMolecules: 3583838
Molport: MolPort-002-563-730
AKOS: AKOS001207683
ChemBridge: 5222815
IBScreen: STOCK2S-30709...20 total
ref: mol2,
SDF,
SMILES,
flexibase
3.04,1.91,-11.23,0,5,0, 324.38, 4
Similar to: 34600089, 34600090, 181594, 182734, 182735, ... 7 in total.
|  |
181594
#12
| eMolecules: 3583838
Molport: MolPort-002-563-730
AKOS: AKOS001207683
ChemBridge: 5222815
IBScreen: STOCK2S-30709...20 total
ref: mol2,
SDF,
SMILES,
flexibase
3.04,1.91,-11.24,0,5,0, 324.38, 4
Similar to: 182734, 182735, 441459, 4539040, 4539042, ... 10 in total.
|  |
868461
#13
| Molport: MolPort-001-978-716
AKOS: AKOS000638728
Asinex: BAS02277061
Labotest: LT01322118
Mcule: MCULE-2472667827...12 total
ref: mol2,
SDF,
SMILES,
flexibase
2.80,2.29,-13.2,0,6,0, 354.406, 5
|  |
868460
#14
| Molport: MolPort-001-978-716
AKOS: AKOS000638728
Asinex: BAS02277061
Labotest: LT01322118
Mcule: MCULE-2472667827...12 total
ref: mol2,
SDF,
SMILES,
flexibase
2.80,2.43,-11.61,0,6,0, 354.406, 5
|  |
9420081
#15
| eMolecules: 4773910
Molport: MolPort-002-678-444
AKOS: AKOS001209855
IBScreen: STOCK6S-31251
Life Chemicals: F3194-0111...15 total
ref: mol2,
SDF,
SMILES,
flexibase
4.10,9.63,-18.16,0,7,0, 478.599, 6
|  |
9420082
#16
| eMolecules: 4773910
Molport: MolPort-002-678-444
AKOS: AKOS001209855
IBScreen: STOCK6S-31251
Life Chemicals: F3194-0111...15 total
ref: mol2,
SDF,
SMILES,
flexibase
4.10,9.67,-18.53,0,7,0, 478.599, 6
|  |
4942492
#17
| eMolecules: 3654970
Molport: MolPort-003-177-227
AKOS: AKOS001209737
Life Chemicals: F3032-0076
Mcule: MCULE-1876336298...9 total
ref: mol2,
SDF,
SMILES,
flexibase
4.22,8.21,-14.77,1,6,0, 376.412, 5
hi: mol2,
SDF,
SMILES,
flexibase
4.22,8.99,-52.2,0,6,-1, 375.404, 5
Similar to: 4292048, 4292047, 4291765, 4291766, 505561, ... 8 in total.
|  |
4942491
#18
| eMolecules: 3654970
Molport: MolPort-003-177-227
AKOS: AKOS001209737
Life Chemicals: F3032-0076
Mcule: MCULE-1876336298...9 total
ref: mol2,
SDF,
SMILES,
flexibase
4.22,8.2,-14.27,1,6,0, 376.412, 5
hi: mol2,
SDF,
SMILES,
flexibase
4.22,8.98,-52.22,0,6,-1, 375.404, 5
|  |
4942485
#19
| eMolecules: 3653380
Molport: MolPort-003-177-224
AKOS: AKOS001209623
Enamine: Z166630814
Life Chemicals: F3032-0073...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.96,8.03,-13.36,1,5,0, 350.349, 3
hi: mol2,
SDF,
SMILES,
flexibase
3.96,8.81,-49.18,0,5,-1, 349.341, 3
|  |
4942486
#20
| eMolecules: 3653380
Molport: MolPort-003-177-224
AKOS: AKOS001209623
Enamine: Z166630814
Life Chemicals: F3032-0073...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.96,8.02,-13,1,5,0, 350.349, 3
hi: mol2,
SDF,
SMILES,
flexibase
3.96,8.8,-49.14,0,5,-1, 349.341, 3
Similar to: 620276, 620277, 505561, 505562, 4291765, ... 8 in total.
|  |
9419514
#21
| eMolecules: 3653378
Molport: MolPort-002-677-981
AKOS: AKOS001209401
IBScreen: STOCK6S-30503
Life Chemicals: F3194-0114...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.30,-1.56,-17.74,0,7,0, 438.534, 5
|  |
9419515
#22
| eMolecules: 3653378
Molport: MolPort-002-677-981
AKOS: AKOS001209401
IBScreen: STOCK6S-30503
Life Chemicals: F3194-0114...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.30,-1.63,-17.88,0,7,0, 438.534, 5
|  |
4942488
#23
| eMolecules: 3708608
Molport: MolPort-003-177-225
AKOS: AKOS001210784
Life Chemicals: F3032-0074
Mcule: MCULE-7185471487...9 total
ref: mol2,
SDF,
SMILES,
flexibase
4.24,8.65,-13.68,1,5,0, 346.386, 3
hi: mol2,
SDF,
SMILES,
flexibase
4.24,9.43,-51.74,0,5,-1, 345.378, 3
Similar to: 4292044, 4292043, 620276, 620277, 505561, ... 9 in total.
|  |
4942487
#24
| eMolecules: 3708608
Molport: MolPort-003-177-225
AKOS: AKOS001210784
Life Chemicals: F3032-0074
Mcule: MCULE-7185471487...9 total
ref: mol2,
SDF,
SMILES,
flexibase
4.24,8.65,-13.33,1,5,0, 346.386, 3
hi: mol2,
SDF,
SMILES,
flexibase
4.24,9.43,-51.75,0,5,-1, 345.378, 3
Similar to: 4292044, 4292043, 620276, 620277, 505561, ... 9 in total.
|  |
9260651
#25
| eMolecules: 3708606
Molport: MolPort-003-285-588
AKOS: AKOS001210664
Life Chemicals: F3194-0077
Mcule: MCULE-1921412615...12 total
ref: mol2,
SDF,
SMILES,
flexibase
3.58,-0.91,-19.55,0,8,0, 462.531, 6
|  |
9260650
#26
| eMolecules: 3708606
Molport: MolPort-003-285-588
AKOS: AKOS001210664
Life Chemicals: F3194-0077
Mcule: MCULE-1921412615...12 total
ref: mol2,
SDF,
SMILES,
flexibase
3.58,-1.36,-16.72,0,8,0, 462.531, 6
|  |
9260717
#27
| eMolecules: 3653376
Molport: MolPort-003-178-106
AKOS: AKOS001209854
Life Chemicals: F3085-0009
Mcule: MCULE-6485910538...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.52,-2.27,-19.75,1,8,0, 447.9, 6
hi: mol2,
SDF,
SMILES,
flexibase
3.52,-1.69,-44.27,0,8,-1, 446.892, 6
|  |
9260718
#28
| eMolecules: 3653376
Molport: MolPort-003-178-106
AKOS: AKOS001209854
Life Chemicals: F3085-0009
Mcule: MCULE-6485910538...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.52,-2.51,-23.35,1,8,0, 447.9, 6
hi: mol2,
SDF,
SMILES,
flexibase
3.52,-1.93,-48.21,0,8,-1, 446.892, 6
|  |
9419053
#29
| eMolecules: 4771404
Molport: MolPort-000-856-366
AKOS: AKOS001209735
Enamine: Z166630750
IBScreen: STOCK6S-29884...15 total
ref: mol2,
SDF,
SMILES,
flexibase
4.49,-1.68,-17.35,0,6,0, 462.6, 5
|  |
9419054
#30
| eMolecules: 4771404
Molport: MolPort-000-856-366
AKOS: AKOS001209735
Enamine: Z166630750
IBScreen: STOCK6S-29884...15 total
ref: mol2,
SDF,
SMILES,
flexibase
4.49,-1.75,-17.59,0,6,0, 462.6, 5
|  |
9419043
#31
| eMolecules: 4771376
Molport: MolPort-002-677-613
AKOS: AKOS001209399
IBScreen: STOCK6S-29867
Life Chemicals: F3194-0118...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.93,1.07,-13.72,0,5,0, 418.547, 4
|  |
9260656
#32
| eMolecules: 4771376
Molport: MolPort-002-677-613
AKOS: AKOS001209399
IBScreen: STOCK6S-29867
Life Chemicals: F3194-0118...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.93,0.98,-13.98,0,5,0, 418.547, 4
|  |
10434545
#33
| eMolecules: 5659054
Molport: MolPort-004-498-021
AKOS: AKOS001209398
Life Chemicals: F3194-0106
Mcule: MCULE-3412415395...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.87,1.93,-13.57,0,5,0, 426.545, 5
Similar to: 10434546, 13112498, 3949505, 9260684, ... 4 in total.
|  |
10434546
#34
| eMolecules: 5659054
Molport: MolPort-004-498-021
AKOS: AKOS001209398
Life Chemicals: F3194-0106
Mcule: MCULE-3412415395...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.87,1.89,-13.97,0,5,0, 426.545, 5
Similar to: 13112498, 3949505, 10434545, 9260684, ... 4 in total.
|  |
20472900
#35
| eMolecules: 2044481
Molport: MolPort-002-097-252
Scientific Exchange (make on demand): POD_27/0019
AKOS: AKOS001209169
ChemBridge: 7953565...17 total
ref: mol2,
SDF,
SMILES,
flexibase
1.44,2.47,-12.63,1,5,0, 300.156, 3
|  |
1008873
#36
| Mcule: MCULE-3915429569
UORSY: PB166708194
PubChem: 16276926, 1229608
SureChEMBL: SCHEMBL15436205
AKOS (make-on-demand): AKOS001210902...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.63,2.31,-13.61,0,6,0, 354.406, 5
Similar to: 4103706, 4247918, 4247919, 5197549, 5197556, ... 11 in total.
|  |
1008872
#37
| Mcule: MCULE-3915429569
UORSY: PB166708194
PubChem: 16276926, 1229607
SureChEMBL: SCHEMBL15436205
AKOS (make-on-demand): AKOS001210902...7 total
ref: mol2,
SDF,
SMILES,
flexibase
2.63,2.28,-13.59,0,6,0, 354.406, 5
Similar to: 4103706, 4247918, 4247919, 5197549, 5197556, ... 9 in total.
|  |
9129280
#38
| eMolecules: 4725552
Molport: MolPort-002-660-132
AKOS: AKOS001210663
IBScreen: STOCK6S-00767
Life Chemicals: F3194-0079...13 total
ref: mol2,
SDF,
SMILES,
flexibase
4.61,-1.88,-18.26,0,6,0, 462.6, 5
Similar to: 9129507, 9260614, 9260780,
|  |
9260614
#39
| eMolecules: 4725552
Molport: MolPort-002-660-132
AKOS: AKOS001210663
IBScreen: STOCK6S-00767
Life Chemicals: F3194-0079...13 total
ref: mol2,
SDF,
SMILES,
flexibase
4.61,-2.31,-15.56,0,6,0, 462.6, 5
Similar to: 9129280, 9129507,
|  |
5044012
#40
| eMolecules: 3586139
Molport: MolPort-003-178-108
AKOS: AKOS001210437
Enamine: Z166630706
Life Chemicals: F3085-0013...12 total
ref: mol2,
SDF,
SMILES,
flexibase
3.71,-0.87,-13.02,1,5,0, 389.249, 3
Similar to: 5044013,
|  |
5044013
#41
| eMolecules: 3586139
Molport: MolPort-003-178-108
AKOS: AKOS001210437
Enamine: Z166630706
Life Chemicals: F3085-0013...12 total
ref: mol2,
SDF,
SMILES,
flexibase
3.71,-0.74,-13.27,1,5,0, 389.249, 3
Similar to: 9260756, 9260759, 5044012,
|  |
5424606
#42
| eMolecules: 3653118
IBScreen: STOCK5S-98951
Mcule: MCULE-4566746753
Pharmeks: PHAR160423
UORSY: PB166708172...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.93,-0.76,-12.2,0,5,0, 393.493, 4
|  |
5424616
#43
| eMolecules: 3653118
IBScreen: STOCK5S-98951
Mcule: MCULE-4566746753
Pharmeks: PHAR160423
UORSY: PB166708172...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.93,-0.78,-16.89,0,5,0, 393.493, 4
|  |
4942495
#44
| eMolecules: 3708582
Molport: MolPort-003-177-229
AKOS: AKOS001210205
Life Chemicals: F3032-0078
Mcule: MCULE-7914004427...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.69,6.88,-14.03,1,5,0, 338.388, 3
hi: mol2,
SDF,
SMILES,
flexibase
3.69,7.65,-51.14,0,5,-1, 337.38, 3
Similar to: 5066005, 5066007, 6470557, 6470563, 23175865, ... 6 in total.
|  |
4942496
#45
| eMolecules: 3708582
Molport: MolPort-003-177-229
AKOS: AKOS001210205
Life Chemicals: F3032-0078
Mcule: MCULE-7914004427...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.69,6.88,-13.54,1,5,0, 338.388, 3
hi: mol2,
SDF,
SMILES,
flexibase
3.69,7.65,-51.09,0,5,-1, 337.38, 3
Similar to: 5066005, 5066007, 6470557, 6470563, 23175865, ... 6 in total.
|  |
9420123
#46
| eMolecules: 4774000
Molport: MolPort-002-678-474
AKOS: AKOS001210088
IBScreen: STOCK6S-31298
Life Chemicals: F3194-0120...14 total
ref: mol2,
SDF,
SMILES,
flexibase
4.06,12.11,-15.43,0,6,0, 442.544, 5
Similar to: 10434549, 10434551,
|  |
9420124
#47
| eMolecules: 4774000
Molport: MolPort-002-678-474
AKOS: AKOS001210088
IBScreen: STOCK6S-31298
Life Chemicals: F3194-0120...14 total
ref: mol2,
SDF,
SMILES,
flexibase
4.06,12.18,-15.99,0,6,0, 442.544, 5
Similar to: 10434549, 10434551,
|  |
9356736
#48
| eMolecules: 832968
AK Scientific: HTS003486
AKOS: AKOS000270330
IBScreen BuildingBlocks: BB_NC-00845
IBScreen NP: STOCK1N-41001...31 total
ref: mol2,
SDF,
SMILES,
flexibase
0.74,3.4,-20.27,1,5,0, 217.18, 1
Similar to: 38788895, 38788897, 38788957, 38788960, 38788984, ... 37 in total.
|  |
20624371
#49
| eMolecules: 3654966
Molport: MolPort-000-860-149
AKOS: AKOS001209852
IBScreen: STOCK6S-30233
Life Chemicals: F3172-0011...14 total
ref: mol2,
SDF,
SMILES,
flexibase
2.60,4.49,-11.92,1,6,0, 371.462, 4
hi: mol2,
SDF,
SMILES,
flexibase
2.60,5.13,-52.33,0,6,-1, 370.454, 4
|  |
20624368
#50
| eMolecules: 3654966
Molport: MolPort-000-860-149
AKOS: AKOS001209852
IBScreen: STOCK6S-30233
Life Chemicals: F3172-0011...14 total
ref: mol2,
SDF,
SMILES,
flexibase
2.60,4.41,-12.08,1,6,0, 371.462, 4
hi: mol2,
SDF,
SMILES,
flexibase
2.60,5.04,-51.28,0,6,-1, 370.454, 4
|  |
9849240
#51
| eMolecules: 3557890
Molport: MolPort-003-177-837
AKOS: AKOS001209733
Enamine: Z166630682
Life Chemicals: F3065-0070...12 total
ref: mol2,
SDF,
SMILES,
flexibase
1.83,-6.13,-14.24,2,10,0, 404.404, 7
hi: mol2,
SDF,
SMILES,
flexibase
1.83,-5.56,-48.44,1,10,-1, 403.396, 7
|  |
4357127
#52
| eMolecules: 3653116
Molport: MolPort-003-085-108
AKOS: AKOS001209397
Life Chemicals: F1968-0018
Mcule: MCULE-1138335331...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.33,3.93,-14.97,0,6,0, 384.407, 7
Similar to: 4357131,
|  |
4357131
#53
| eMolecules: 3653116
Molport: MolPort-003-085-108
AKOS: AKOS001209397
Life Chemicals: F1968-0018
Mcule: MCULE-1138335331...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.33,3.93,-15,0,6,0, 384.407, 7
Similar to: 4357127,
|  |
9419764
#54
| eMolecules: 4773124
Molport: MolPort-000-855-636
AKOS: AKOS001210549
IBScreen: STOCK6S-30831
Life Chemicals: F3194-0112...17 total
ref: mol2,
SDF,
SMILES,
flexibase
4.08,9.63,-19.7,0,7,0, 478.599, 6
|  |
9419765
#55
| eMolecules: 4773124
Molport: MolPort-000-855-636
AKOS: AKOS001210549
IBScreen: STOCK6S-30831
Life Chemicals: F3194-0112...17 total
ref: mol2,
SDF,
SMILES,
flexibase
4.08,9.68,-20.14,0,7,0, 478.599, 6
|  |
10434549
#56
| eMolecules: 5659062
Molport: MolPort-004-498-019
AKOS: AKOS001210436
Life Chemicals: F3194-0121
Mcule: MCULE-3254929653...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.90,1.9,-14.9,0,6,0, 456.571, 6
Similar to: 10434551, 9420123, 9420124,
|  |
10434551
#57
| eMolecules: 5659062
Molport: MolPort-004-498-019
AKOS: AKOS001210436
Life Chemicals: F3194-0121
Mcule: MCULE-3254929653...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.90,1.91,-15.62,0,6,0, 456.571, 6
Similar to: 10434549, 9420123, 9420124,
|  |
7814763
#58
| eMolecules: 4774758
Molport: MolPort-000-851-439
AKOS: AKOS001210435
IBScreen: STOCK6S-31717
Life Chemicals: F3194-0116...14 total
ref: mol2,
SDF,
SMILES,
flexibase
3.29,2.32,-14.4,0,6,0, 402.479, 4
Similar to: 9579583, 9579584,
|  |
7814764
#59
| eMolecules: 4774758
Molport: MolPort-000-851-439
AKOS: AKOS001210435
IBScreen: STOCK6S-31717
Life Chemicals: F3194-0116...14 total
ref: mol2,
SDF,
SMILES,
flexibase
3.29,2.32,-14.78,0,6,0, 402.479, 4
Similar to: 9579583, 9579584,
|  |
9849228
#60
| eMolecules: 5638367
Molport: MolPort-003-178-102
AKOS: AKOS001210202
Enamine: Z166630630
Life Chemicals: F3085-0001...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.90,-1.92,-11.91,1,5,0, 451.349, 3
Similar to: 9849229,
|  |
9849229
#61
| eMolecules: 5638367
Molport: MolPort-003-178-102
AKOS: AKOS001210202
Enamine: Z166630630
Life Chemicals: F3085-0001...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.90,-2.32,-15.71,1,5,0, 451.349, 3
Similar to: 9849228,
|  |
9044154
#62
| eMolecules: 4723493
AKOS: AKOS001210085
IBScreen: STOCK5S-99147
Life Chemicals: F3194-0027
Mcule: MCULE-1795988229...14 total
ref: mol2,
SDF,
SMILES,
flexibase
4.32,-1.8,-17.3,0,7,0, 472.57, 6
Similar to: 9044160, 9420168, 9420169, 15972919, 15972921, ... 5 in total.
|  |
9044160
#63
| eMolecules: 4723493
AKOS: AKOS001210085
IBScreen: STOCK5S-99147
Life Chemicals: F3194-0027
Mcule: MCULE-1795988229...14 total
ref: mol2,
SDF,
SMILES,
flexibase
4.32,-1.36,-20.67,0,7,0, 472.57, 6
Similar to: 9420168, 9420169, 15972919, 15972921, ... 5 in total.
|  |
9260683
#64
| eMolecules: 5659056
Molport: MolPort-004-498-018
AKOS: AKOS001209851
Life Chemicals: F3194-0108
Mcule: MCULE-4398468250...13 total
ref: mol2,
SDF,
SMILES,
flexibase
4.48,13.49,-13.83,0,5,0, 426.545, 4
Similar to: 10434547, 3949505,
|  |
10434547
#65
| eMolecules: 5659056
Molport: MolPort-004-498-018
AKOS: AKOS001209851
Life Chemicals: F3194-0108
Mcule: MCULE-4398468250...13 total
ref: mol2,
SDF,
SMILES,
flexibase
4.48,13.55,-14.34,0,5,0, 426.545, 4
Similar to: 3949505, 9260683, 9260783, 9260785, ... 4 in total.
|  |
9419462
#66
| eMolecules: 4772376
Molport: MolPort-002-677-936
IBScreen: STOCK6S-30419
Mcule: MCULE-1034964976
UORSY: PB166708072...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.68,2.2,-17.19,0,7,0, 472.57, 6
|  |
9419463
#67
| eMolecules: 4772376
Molport: MolPort-002-677-936
IBScreen: STOCK6S-30419
Mcule: MCULE-1034964976
UORSY: PB166708072...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.68,2.21,-17.64,0,7,0, 472.57, 6
|  |
9129507
#68
| eMolecules: 4726570
Molport: MolPort-002-660-518
AKOS: AKOS001209284
IBScreen: STOCK6S-01558
Life Chemicals: F3194-0078...14 total
ref: mol2,
SDF,
SMILES,
flexibase
4.16,-2.66,-15.63,0,6,0, 448.573, 5
Similar to: 9260614, 9260780, 9129280,
|  |
9260780
#69
| eMolecules: 4726570
Molport: MolPort-002-660-518
AKOS: AKOS001209284
IBScreen: STOCK6S-01558
Life Chemicals: F3194-0078...14 total
ref: mol2,
SDF,
SMILES,
flexibase
4.16,-2.2,-18.51,0,6,0, 448.573, 5
Similar to: 9129280, 9129507,
|  |
9960913
#70
| eMolecules: 5659068
Molport: MolPort-004-143-312
AKOS: AKOS001210898
Life Chemicals: F3194-0148
Mcule: MCULE-3746004059...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.24,1.72,-15.66,0,6,0, 435.549, 6
Similar to: 9960915,
|  |
9960915
#71
| eMolecules: 5659068
Molport: MolPort-004-143-312
AKOS: AKOS001210898
Life Chemicals: F3194-0148
Mcule: MCULE-3746004059...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.24,1.74,-15.55,0,6,0, 435.549, 6
Similar to: 9960913,
|  |
13098523
#72
| Mcule: MCULE-3937510817
UORSY: PB166708058
PubChem: 25709909, 16276868
UPCMLD: 85769691
AKOS (make-on-demand): AKOS001210897...7 total
ref: mol2,
SDF,
SMILES,
flexibase
6.90,14.54,-13.42,1,5,0, 482.996, 4
Similar to: 13098522,
|  |
13098522
#73
| Mcule: MCULE-3937510817
UORSY: PB166708058
PubChem: 25709908, 16276868
UPCMLD: 85769691
AKOS (make-on-demand): AKOS001210897...7 total
ref: mol2,
SDF,
SMILES,
flexibase
6.90,14.49,-13.09,1,5,0, 482.996, 4
Similar to: 13098523,
|  |
814419
#74
| eMolecules: 1511494
Molport: MolPort-002-014-503
AKOS: AKOS000638651
Asinex: BAS08978817
ChemBridge: 7909648...21 total
ref: mol2,
SDF,
SMILES,
flexibase
1.93,4.35,-21.52,1,8,0, 409.471, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.93,4.51,-47.5,0,8,-1, 408.463, 4
|  |
7981372
#75
| AKOS: AKOS001218162
Mcule: MCULE-4361792200
UORSY: PB166733268
PubChem: 9109695
Mcule Make-on-demand: MCULE-4361792200...5 total
ref: mol2,
SDF,
SMILES,
flexibase
2.23,0.59,-7.46,1,6,0, 361.467, 6
Similar to: 9770393, 9777230, 9953418, 9953428, 9955132, ... 7 in total.
|  |
7979907
#76
| AKOS: AKOS001216530
Mcule: MCULE-7884298113
UORSY: PB166731608
PubChem: 9107979
Mcule Make-on-demand: MCULE-7884298113...5 total
ref: mol2,
SDF,
SMILES,
flexibase
1.37,7.28,-10.03,2,7,0, 378.841, 5
|  |
814418
#77
| eMolecules: 1511494
Molport: MolPort-002-014-503
AKOS: AKOS000638651
Asinex: BAS08978817
ChemBridge: 7909648...21 total
ref: mol2,
SDF,
SMILES,
flexibase
1.93,4.34,-21.58,1,8,0, 409.471, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.93,4.51,-47.46,0,8,-1, 408.463, 4
|  |
1509721
#78
| Molport: MolPort-002-371-669
Mcule: MCULE-7373178293
UORSY: PB166708048
ChemDB: 5627994
PubChem: 5253904...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.50,0.39,-15.3,1,4,0, 390.87, 2
|  |
1509727
#79
| Molport: MolPort-002-371-669
Mcule: MCULE-7373178293
UORSY: PB166708048
ChemDB: 5627994
PubChem: 5253904...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.50,0.24,-10.07,1,4,0, 390.87, 2
|  |
9419948
#80
| eMolecules: 4773592
Molport: MolPort-002-678-331
AKOS: AKOS001210434
IBScreen: STOCK6S-31081
Life Chemicals: F3194-0124...15 total
ref: mol2,
SDF,
SMILES,
flexibase
4.09,12.13,-14.86,0,6,0, 442.544, 5
Similar to: 3949505,
|  |
9419949
#81
| eMolecules: 4773592
Molport: MolPort-002-678-331
AKOS: AKOS001210434
IBScreen: STOCK6S-31081
Life Chemicals: F3194-0124...15 total
ref: mol2,
SDF,
SMILES,
flexibase
4.09,12.19,-15.52,0,6,0, 442.544, 5
|  |
9260662
#82
| Mcule: MCULE-7263243663
UORSY: PB166708042
PubChem: 40989263, 16276865
AKOS (make-on-demand): AKOS001210316
Mcule Make-on-demand: MCULE-7263243663...6 total
ref: mol2,
SDF,
SMILES,
flexibase
3.69,-1.66,-20.7,0,8,0, 508.625, 7
|  |
9260666
#83
| Mcule: MCULE-7263243663
UORSY: PB166708042
PubChem: 40989264, 16276865
AKOS (make-on-demand): AKOS001210316
Mcule Make-on-demand: MCULE-7263243663...6 total
ref: mol2,
SDF,
SMILES,
flexibase
3.69,-1.7,-21.17,0,8,0, 508.625, 7
|  |
9260849
#84
| Mcule: MCULE-5113596346
UORSY: PB166708040
PubChem: 40989366, 16276864
AKOS (make-on-demand): AKOS001210201
Mcule Make-on-demand: MCULE-5113596346...6 total
ref: mol2,
SDF,
SMILES,
flexibase
6.93,-1.56,-13.68,1,5,0, 482.996, 4
|  |
9260847
#85
| Mcule: MCULE-5113596346
UORSY: PB166708040
PubChem: 40989364, 16276864
AKOS (make-on-demand): AKOS001210201
Mcule Make-on-demand: MCULE-5113596346...6 total
ref: mol2,
SDF,
SMILES,
flexibase
6.93,-1.57,-14.01,1,5,0, 482.996, 4
|  |
13098519
#86
| Mcule: MCULE-2767172216
UORSY: PB166708028
PubChem: 25709905, 16276859
UPCMLD: 85769688
AKOS (make-on-demand): AKOS001209849...7 total
ref: mol2,
SDF,
SMILES,
flexibase
6.95,14.18,-13.41,1,6,0, 513.022, 5
Similar to: 13098518,
|  |
13098518
#87
| Mcule: MCULE-2767172216
UORSY: PB166708028
PubChem: 25709904, 16276859
UPCMLD: 85769688
AKOS (make-on-demand): AKOS001209849...7 total
ref: mol2,
SDF,
SMILES,
flexibase
6.95,14,-15.04,1,6,0, 513.022, 5
Similar to: 13098519,
|  |
4487904
#88
| eMolecules: 1533415
AKOS: AKOS000651312
IBScreen: STOCK7S-06651
Life Chemicals: F3026-0038
Mcule: MCULE-6009384741...15 total
ref: mol2,
SDF,
SMILES,
flexibase
2.58,-0.39,-17.3,0,6,0, 355.39, 5
Similar to: 39915659, 39915660, 39915661, 39915662, 39915663, ... 12 in total.
|  |
6809370
#89
| eMolecules: 2634324
AKOS: AKOS001445186
Mcule: MCULE-3735997643
Otava: 7118030033
UORSY: PB324630270...13 total
ref: mol2,
SDF,
SMILES,
flexibase
4.58,2.58,-9.84,0,4,0, 337.419, 6
Similar to: 4537620, 4537627,
|  |
8059845
#90
| eMolecules: 6907514
AKOS: AKOS001445069
Mcule: MCULE-6459993807
UORSY: PB324630268
Vitas-M: STK866015...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,0.79,-15.05,0,4,0, 336.174, 4
Similar to: 39287589, 39287590, 39287591, 39287592, 39287593, ... 39 in total.
|  |
11692661
#91
| eMolecules: 17126835
Molport: MolPort-004-669-131
AKOS: AKOS001444955
Life Chemicals: F3369-0655
Mcule: MCULE-4051232753...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.15,2.62,-13.54,0,4,0, 293.322, 5
|  |
11612458
#92
| eMolecules: 6911126
Molport: MolPort-000-880-637
AKOS: AKOS000245355
Alinda Building Blocks: ALBB-016872
Enamine: Z324552784...23 total
ref: mol2,
SDF,
SMILES,
flexibase
3.34,0.97,-8.84,0,3,0, 296.164, 3
Similar to: 42079062, 42117913, 42117948, 42117978, 42118043, ... 8 in total.
|  |
17113144
#93
| eMolecules: 9268492
AKOS: AKOS001444608
Life Chemicals: F1641-0140
Mcule: MCULE-2368467291
UORSY: PB324630242...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.15,11.54,-12.98,0,4,0, 323.392, 6
|  |
11692625
#94
| eMolecules: 17126556
Molport: MolPort-004-669-127
AKOS: AKOS001444380
Mcule: MCULE-3362923331
Otava: 7119812690...10 total
ref: mol2,
SDF,
SMILES,
flexibase
3.78,0.92,-9.71,0,4,0, 289.404, 4
|  |
11692628
#95
| eMolecules: 17126560
Molport: MolPort-004-669-126
AKOS: AKOS001444379
IBScreen: STOCK7S-14161
Mcule: MCULE-6894477513...12 total
ref: mol2,
SDF,
SMILES,
flexibase
2.79,-0.14,-10.35,0,5,0, 303.387, 2
|  |
30005218
#96
| AKOS: AKOS008109740
Mcule: MCULE-6004868376
UORSY: PB319998490
PubChem: 37303635
Mcule Make-on-demand: MCULE-6004868376...5 total
ref: mol2,
SDF,
SMILES,
flexibase
3.10,8.49,-9.09,4,4,0, 272.377, 2
mid: mol2,
SDF,
SMILES,
flexibase
2.24,8.01,-37.5,5,4,1, 273.385, 3
|  |
22864790
#97
| AKOS: AKOS008109714
Mcule: MCULE-2692385968
UORSY: PB319998408
TimTec Make-on-Demand: OVS21371026
BindingDB.org: 50013274...16 total
ref: mol2,
SDF,
SMILES,
flexibase
3.09,5.74,-11.54,4,4,0, 252.73, 2
mid: mol2,
SDF,
SMILES,
flexibase
2.23,6.22,-37.51,5,4,1, 253.738, 3
|  |
246039
#98
| eMolecules: 18498928
Molport: MolPort-004-667-416
AKOS: AKOS001469255
ChemDiv: C489-0310
Mcule: MCULE-5909854648...11 total
ref: mol2,
SDF,
SMILES,
flexibase
2.86,-0.37,-14.61,1,5,0, 340.404, 5
|  |
11692626
#99
| eMolecules: 17126558
Molport: MolPort-004-667-413
AKOS: AKOS001468893
IBScreen: STOCK7S-04960
Mcule: MCULE-3152501312...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.31,1.5,-12.85,0,5,0, 333.457, 6
|  |
12776736
#100
| eMolecules: 9268538
AKOS: AKOS001469972
Enamine: Z319610068
Life Chemicals: F1641-0213
Mcule: MCULE-6394318217...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.40,9.52,-16.7,0,5,0, 401.26, 4
Similar to: 16892748, 16892749, 16892751, 16892752, 16893684, ... 126 in total.
|  |
Old detail retrieval took 3 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 = 126 ) limit 0,100
