ZINC ID
| Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure
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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: 6990464...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: 6990465...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 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 = 126 ) limit 0,100