ZINC ID
| Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure
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75629732 #1
 
| ChemMol: 81403181 Capot Chemical: 11755 FineTech: FT-0604038 ref: mol2,
SDF,
SMILES,
flexibase -1.15,6.38,-76.29,1,8,-1, 283.26, 9 hi: mol2,
SDF,
SMILES,
flexibase -1.15,4.29,-109.96,0,8,-2, 282.252, 9
|  |
75629731 #2
 
| Capot Chemical: 11506 PubChem: 60146153 ref: mol2,
SDF,
SMILES,
flexibase -0.94,2.08,-43.55,3,2,1, 145.251, 2 hi: mol2,
SDF,
SMILES,
flexibase -0.94,1.73,-8.57,2,2,0, 144.243, 2
|  |
75629730 #3
 
| Capot Chemical: 11502 Debye Scientific BB (Depleted): DB-064807 PubChem: 60146151, 59946347 ref: mol2,
SDF,
SMILES,
flexibase 0.74,4.73,-40.63,3,2,1, 201.359, 4 hi: mol2,
SDF,
SMILES,
flexibase 0.74,4.43,-7.49,2,2,0, 200.351, 4
|  |
75629729 #4
 
| Capot Chemical: 11497 Debye Scientific BB (Depleted): DB-065472 PubChem: 60146149 ref: mol2,
SDF,
SMILES,
flexibase 0.71,4.2,-43.23,3,2,1, 219.399, 4 mid: mol2,
SDF,
SMILES,
flexibase 0.71,3.9,-5.71,2,2,0, 218.391, 4
|  |
75629728 #5
 
| Capot Chemical: 9864 PubChem: 60146148 ref: mol2,
SDF,
SMILES,
flexibase 0.52,2.18,-6.93,0,3,0, 144.08, 1
|  |
75629727 #6
 
| Capot Chemical: 11495 FineTech: FT-0603898 AKOS BB (make-on-demand): AKOS015910002 PubChem: 15728417 ref: mol2,
SDF,
SMILES,
flexibase 4.88,12.46,-58.19,1,9,-1, 454.54, 12
|  |
34579517 #7
 
| Capot Chemical: 11495 FineTech: FT-0603898 AKOS BB (make-on-demand): AKOS015910002 PubChem: 10961452, 15728417 ref: mol2,
SDF,
SMILES,
flexibase 4.88,12.57,-58.75,1,9,-1, 454.54, 12
Similar to: 2539203, 2555005,
|  |
75629726 #8
 
| Capot Chemical: 10336 PubChem: 60146145 ref: mol2,
SDF,
SMILES,
flexibase 5.49,7.16,-8.42,1,10,0, 423.495, 9
|  |
34187515 #9
 
| Capot Chemical: 11550 FineTech: FT-0603932 PubChem: 13919078, 13919079 SureChEMBL: SCHEMBL6456176, SCHEMBL6456168 ref: mol2,
SDF,
SMILES,
flexibase 4.22,6.93,-8.83,1,4,0, 283.755, 7
|  |
75629725 #10
 
| Ark Pharm Building Blocks: AK155690 Capot Chemical: 11519 FineTech: FT-0603915 AKOS BB (make-on-demand): AKOS015908727 PubChem: 11077771...6 total
ref: mol2,
SDF,
SMILES,
flexibase 2.89,4.87,-4.76,1,5,0, 310.188, 6
|  |
75629724 #11
 
| Ark Pharm Building Blocks: AK155690 Capot Chemical: 11519 FineTech: FT-0603915 AKOS BB (make-on-demand): AKOS015908727 PubChem: 11077771...6 total
ref: mol2,
SDF,
SMILES,
flexibase 2.89,4.55,-5.5,1,5,0, 310.188, 6
|  |
75629723 #12
 
| Capot Chemical: 11488 FineTech: FT-0603896 PubChem: 60146140 ref: mol2,
SDF,
SMILES,
flexibase 0.51,2.66,-48.91,3,7,1, 238.252, 3 mid: mol2,
SDF,
SMILES,
flexibase 0.51,2.3,-7.3,2,7,0, 237.244, 3
|  |
75629722 #13
 
| Capot Chemical: 11484 FineTech: FT-0603893 PubChem: 60146139 ref: mol2,
SDF,
SMILES,
flexibase 6.02,7.77,-7.43,1,9,0, 393.469, 7
|  |
75629721 #14
 
| Capot Chemical: 10338 PubChem: 60146138 ref: mol2,
SDF,
SMILES,
flexibase 7.36,10.53,-10.67,1,10,0, 499.593, 10
|  |
75629720 #15
 
| Capot Chemical: 11721 FineTech: FT-0604020 PubChem: 53482059, 53482058 ref: mol2,
SDF,
SMILES,
flexibase -0.24,2.33,-14.55,3,6,0, 245.238, 3
|  |
75629719 #16
 
| AK Scientific: 5323AC Anward: ANW-71180 Ark Pharm Building Blocks: AK104591 BePharm Building Blocks: B238799 Capot Chemical: 9154...10 total
ref: mol2,
SDF,
SMILES,
flexibase 3.91,10.03,-10.41,0,5,0, 319.401, 5
|  |
75629718 #17
 
| AK Scientific: 5323AC Anward: ANW-71180 Ark Pharm Building Blocks: AK104591 BePharm Building Blocks: B238799 Capot Chemical: 9154...9 total
ref: mol2,
SDF,
SMILES,
flexibase 3.91,10.01,-10.36,0,5,0, 319.401, 5
|  |
75629717 #18
 
| Capot Chemical: 9922 Enamine Building Blocks: EN300-209574 Molport BB: MolPort-038-948-247 SureChEMBL: SCHEMBL8773072 ref: mol2,
SDF,
SMILES,
flexibase 2.47,4.12,-2.59,2,1,0, 233.052, 0
|  |
75629716 #19
 
| Capot Chemical: 11517 AKOS BB (make-on-demand): AKOS015909415 PubChem: 56845439 ref: mol2,
SDF,
SMILES,
flexibase 4.16,4.75,-4.63,1,5,0, 343.161, 6
|  |
75629715 #20
 
| Capot Chemical: 11517 AKOS BB (make-on-demand): AKOS015909415 PubChem: 56845439 ref: mol2,
SDF,
SMILES,
flexibase 4.16,4.57,-4.11,1,5,0, 343.161, 6
|  |
36469171 #21
 
| AK Scientific: Y4819 Capot Chemical: 11492 FineTech: FT-0603897 Lab Seeker Building Blocks: SC-32188 StruChem BB make-on-demand: SC-32188...7 total
ref: mol2,
SDF,
SMILES,
flexibase 3.34,7.26,-12.51,1,5,0, 277.32, 7
Similar to: 2169463, 1613196,
|  |
37039336 #22
 
| Capot Chemical: 12255 FineTech: FT-0604293 Tractus: TRA0140422 Enamine BB Make on Demand: BBV-14855358 UORSY BB Make-on-demand: BBV-14855358...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.03,3.82,-106.92,4,5,2, 231.34, 6 mid: mol2,
SDF,
SMILES,
flexibase 0.03,1.62,-47.56,3,5,1, 230.332, 6
Similar to: 2525356, 394416,
|  |
4234692 #23
 
| ACB Blocks: APY-0156 AK Scientific: Z6594 AKOS: AKOS001476464 Ark Pharm Building Blocks: AK-83705 Capot Chemical: 12124...22 total
ref: mol2,
SDF,
SMILES,
flexibase 2.36,4.01,-6.57,3,3,0, 238.088, 1 ref: mol2,
SDF,
SMILES,
flexibase 2.36,4.17,-8.02,3,3,0, 238.088, 1 lo: mol2,
SDF,
SMILES,
flexibase 2.36,4.16,-26.37,4,3,1, 239.096, 1
Similar to: 34975908, 3676762,
|  |
75629714 #24
 
| ChemMol: 81405606 Capot Chemical: 11680 FineTech: FT-0604003 Debye Scientific BB (Depleted): DB-069475 PubChem: 53420256...8 total
ref: mol2,
SDF,
SMILES,
flexibase 4.32,6.23,-0.84,1,1,0, 196.334, 3
|  |
75629713 #25
 
| ChemMol: 81409060 Capot Chemical: 11634 Chembo Pharma: KB-216267 PubChem: 12462896 ref: mol2,
SDF,
SMILES,
flexibase 1.62,3.48,-50.25,2,6,-1, 261.257, 3
|  |
75629712 #26
 
| ChemMol: 81409060 Capot Chemical: 11634 Chembo Pharma: KB-216267 PubChem: 12462896 ref: mol2,
SDF,
SMILES,
flexibase 1.62,3.13,-46.31,2,6,-1, 261.257, 3
|  |
75629711 #27
 
| ChemMol: 81409060 Capot Chemical: 11634 Chembo Pharma: KB-216267 PubChem: 12462896 ref: mol2,
SDF,
SMILES,
flexibase 1.62,3.02,-46.27,2,6,-1, 261.257, 3
|  |
75629710 #28
 
| ChemMol: 81409060 Capot Chemical: 11634 Chembo Pharma: KB-216267 PubChem: 12462896 ref: mol2,
SDF,
SMILES,
flexibase 1.62,3.36,-48.03,2,6,-1, 261.257, 3
|  |
75629709 #29
 
| ChemMol: 81409061 Capot Chemical: 11633 PubChem: 12462897 ref: mol2,
SDF,
SMILES,
flexibase 1.66,4.47,-50.65,2,6,-1, 274.3, 3 lo: mol2,
SDF,
SMILES,
flexibase 1.66,5.34,-59.33,3,6,0, 275.308, 3
|  |
75629708 #30
 
| ChemMol: 81409061 Capot Chemical: 11633 PubChem: 12462897 ref: mol2,
SDF,
SMILES,
flexibase 1.66,4.22,-47.21,2,6,-1, 274.3, 3 lo: mol2,
SDF,
SMILES,
flexibase 1.66,5.01,-67.25,3,6,0, 275.308, 3
|  |
75629707 #31
 
| ChemMol: 81409061 Capot Chemical: 11633 PubChem: 12462897 ref: mol2,
SDF,
SMILES,
flexibase 1.66,4.1,-47.16,2,6,-1, 274.3, 3 lo: mol2,
SDF,
SMILES,
flexibase 1.66,4.89,-67.37,3,6,0, 275.308, 3
|  |
75629706 #32
 
| ChemMol: 81409061 Capot Chemical: 11633 PubChem: 12462897 ref: mol2,
SDF,
SMILES,
flexibase 1.66,4.45,-48.37,2,6,-1, 274.3, 3 lo: mol2,
SDF,
SMILES,
flexibase 1.66,5.25,-56.04,3,6,0, 275.308, 3
|  |
38857208 #33
 
| Capot Chemical: 10795 SureChEMBL: SCHEMBL10333053 ref: mol2,
SDF,
SMILES,
flexibase 2.10,4.64,-45.83,0,1,-1, 151.21, 1
|  |
34551047 #34
 
| Ark Pharm Building Blocks: AK-60161 Capot Chemical: 10334 ref: mol2,
SDF,
SMILES,
flexibase 3.21,10.43,-47.61,1,3,1, 286.326, 3 mid: mol2,
SDF,
SMILES,
flexibase 3.21,8.56,-8.16,0,3,0, 285.318, 3
Similar to: 34679621, 34679622, 32220464, 3160253, 3160254, ... 9 in total.
|  |
38289185 #35
 
| Capot Chemical: 10156 Chembo Pharma: KB-279398, KB-220128 ref: mol2,
SDF,
SMILES,
flexibase 4.60,14.83,-44.87,1,5,1, 382.48, 10 hi: mol2,
SDF,
SMILES,
flexibase 4.60,12.13,-8.14,0,5,0, 381.472, 10
Similar to: 57571266, 1748837,
|  |
75629705 #36
 
| Capot Chemical: 11546 Combi-Blocks: QB-7859 FineTech: FT-0603928 Ryan Scientific BB: 077-56023 PubChem: 13919082...5 total
ref: mol2,
SDF,
SMILES,
flexibase 3.82,4.86,-7.6,1,4,0, 249.738, 6
|  |
75629704 #37
 
| Capot Chemical: 4575 PubChem: 57383493 ref: mol2,
SDF,
SMILES,
flexibase 3.63,9.7,-8.52,2,3,0, 358.161, 2
|  |
21982371 #38
 
| Capot Chemical: 9150 Chembo Pharma: KB-202444 Debye Scientific BB (Depleted): DB-058370 ref: mol2,
SDF,
SMILES,
flexibase 2.25,4.4,-33.85,1,7,-1, 249.202, 4 lo: mol2,
SDF,
SMILES,
flexibase 2.25,3.66,-17.31,2,7,0, 250.21, 4
Similar to: 34522710, 38273364,
|  |
35567329 #39
 
| Capot Chemical: 10592 AKOS BB (make-on-demand): AKOS015967604 PubChem: 57383503 SureChEMBL: SCHEMBL14887958 ref: mol2,
SDF,
SMILES,
flexibase 3.22,6.7,-5.36,1,3,0, 296.292, 4
|  |
75629703 #40
 
| Capot Chemical: 10757 PubChem: 54504735 SureChEMBL: SCHEMBL14410896 ref: mol2,
SDF,
SMILES,
flexibase -1.35,-6.02,-6.89,3,4,0, 150.174, 5
|  |
21981955 #41
 
| Anward: ANW-44172 Apollo Scientific: PC51123 Ark Pharm Building Blocks: AK-88866 BePharm Building Blocks: B228573 Capot Chemical: 6320...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.53,0.83,-31.24,2,2,1, 128.126, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.53,0.36,-9.17,1,2,0, 127.118, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.53,1.61,-19.62,1,2,0, 127.118, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.53,1.14,-36.77,0,2,-1, 126.11, 0
Similar to: 39050833,
|  |
21981922 #42
 
| Adesis: 2-895 AK Scientific: V8962 Aldrich CPR: ADE000745|ALDRICH Ark Pharm Building Blocks: AK126258 Capot Chemical: 6141...13 total
ref: mol2,
SDF,
SMILES,
flexibase 1.88,2.12,-24.52,1,2,0, 143.573, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.88,1.02,-5.22,1,2,0, 143.573, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.88,1.68,-39.42,0,2,-1, 142.565, 0
Similar to: 39316979,
|  |
75629702 #43
 
| Capot Chemical: 6375 PubChem: 53429891 Enamine BB Make on Demand: BBV-40383713 UORSY BB Make-on-demand: BBV-40383713 ref: mol2,
SDF,
SMILES,
flexibase 2.22,4.2,-38.77,3,4,1, 232.307, 2 hi: mol2,
SDF,
SMILES,
flexibase 2.22,2.76,-6.69,2,4,0, 231.299, 2 lo: mol2,
SDF,
SMILES,
flexibase 2.22,4.19,-39.82,3,4,1, 232.307, 2
|  |
75629701 #44
 
| Capot Chemical: 6375 PubChem: 53429891 Enamine BB Make on Demand: BBV-40383713 UORSY BB Make-on-demand: BBV-40383713 ref: mol2,
SDF,
SMILES,
flexibase 2.22,4.2,-38.75,3,4,1, 232.307, 2 hi: mol2,
SDF,
SMILES,
flexibase 2.22,3.13,-6.87,2,4,0, 231.299, 2 lo: mol2,
SDF,
SMILES,
flexibase 2.22,4.19,-39.79,3,4,1, 232.307, 2
|  |
75629700 #45
 
| Capot Chemical: 6361 PubChem: 60146134 ref: mol2,
SDF,
SMILES,
flexibase 5.27,9.61,-3.16,0,1,0, 308.263, 0 mid: mol2,
SDF,
SMILES,
flexibase 5.27,10.52,-32.45,1,1,1, 309.271, 0
|  |
21981914 #46
 
| Anward: ANW-56035 Ark Pharm Building Blocks: AK-29819 BePharm Building Blocks: B42517 Capot Chemical: 6116 ChemFuture PharmTech: CFP0638...8 total
ref: mol2,
SDF,
SMILES,
flexibase 2.40,1.98,-17.78,1,2,0, 208.442, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.40,0.76,-7.54,1,2,0, 208.442, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.40,1.55,-32.09,0,2,-1, 207.434, 0
|  |
21981888 #47
 
| Anward: ANW-49577 Ark Pharm Building Blocks: AK-47612 BePharm Building Blocks: B71578 Capot Chemical: 5771 Fluorochem: 078980...9 total
ref: mol2,
SDF,
SMILES,
flexibase 2.40,1.97,-17.33,1,2,0, 208.442, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.40,0.72,-7.53,1,2,0, 208.442, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.40,1.51,-32.02,0,2,-1, 207.434, 0
|  |
8649837 #48
 
| Capot Chemical: 5520 Chembo Pharma: KB-225926 NCI Plated 2007: 114048 Alfa Chemistry (Depleted): ACM500359115 Debye Scientific BB (Depleted): DB-071090...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.20,-0.75,-28.27,2,6,0, 156.097, 1 mid: mol2,
SDF,
SMILES,
flexibase 0.20,0.03,-40.38,1,6,-1, 155.089, 1
|  |
21981780 #49
 
| Anward: ANW-16203 Ark Pharm Building Blocks: AK-39820 BePharm Building Blocks: B65420 Capot Chemical: 5406 Fluorochem: 092862...8 total
ref: mol2,
SDF,
SMILES,
flexibase 2.27,1.88,-17.87,1,2,0, 163.991, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.27,0.65,-7.55,1,2,0, 163.991, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.27,1.45,-31.81,0,2,-1, 162.983, 0
Similar to: 34354372,
|  |
23529018 #50
 
| Anward: ANW-57882 Apexmol Building Blocks: AM802853 Ark Pharm Building Blocks: AK-30229 BePharm Building Blocks: B40178 Capot Chemical: 8302...9 total
ref: mol2,
SDF,
SMILES,
flexibase 0.57,5.75,-29.89,3,3,1, 174.227, 1 mid: mol2,
SDF,
SMILES,
flexibase 0.57,5.32,-8.82,2,3,0, 173.219, 1
Similar to: 39292798, 39642342,
|  |
23529032 #51
 
| Anward: ANW-57886 Ark Pharm Building Blocks: AK-29937 BePharm Building Blocks: B32881 Capot Chemical: 8281 Zylexa Pharma BB: ZP-BB-AL006551...5 total
ref: mol2,
SDF,
SMILES,
flexibase 0.87,6.06,-30.59,3,3,1, 192.217, 1 mid: mol2,
SDF,
SMILES,
flexibase 0.87,5.62,-10.03,2,3,0, 191.209, 1
|  |
19230172 #52
 
| Acorn PharmaTech: ACN-S003664 Acros Organics: 43789 AK Scientific: W3991, N109, V0614 Alfa-Aesar: L19690 American Custom Chemicals Corp.: CHM0015825...49 total
ref: mol2,
SDF,
SMILES,
flexibase 0.74,4.53,-31.92,3,2,1, 177.271, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.74,2.39,-44,3,2,1, 177.271, 2 lo: mol2,
SDF,
SMILES,
flexibase 0.74,4.82,-117.51,4,2,2, 178.279, 2
Similar to: 23361495, 23361502,
|  |
22114326 #53
 
| ChemMol: 1032192, 44029209 AK Scientific: W4012 AKOS: AKOS015850201 Anward: ANW-50711 Ark Pharm Building Blocks: AK-24386...31 total
ref: mol2,
SDF,
SMILES,
flexibase 2.03,3.79,-13.55,1,4,0, 280.456, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.03,3.33,-30.88,0,4,-1, 279.448, 0 mid: mol2,
SDF,
SMILES,
flexibase 2.03,3.88,-9.54,1,4,0, 280.456, 0
|  |
75629699 #54
 
| Ark Pharm Building Blocks: AK-60114 BOC Sciences BB: 159878-01-0 Capot Chemical: 11516 FineTech: FT-0603912 Tetrahedron Building Blocks: TS66549...11 total
ref: mol2,
SDF,
SMILES,
flexibase 5.16,9.94,-13.37,1,4,0, 363.866, 9
|  |
34327866 #55
 
| AK Scientific: W6530 Anward: ANW-30852 Apexmol Building Blocks: AM20100217 Ark Pharm Building Blocks: AK-26032 BePharm Building Blocks: B21024...21 total
ref: mol2,
SDF,
SMILES,
flexibase 0.94,0.26,-31.84,0,3,-1, 129.526, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.94,-0.51,-6.34,1,3,0, 130.534, 0
Similar to: 21298676,
|  |
15443016 #56
 
| Capot Chemical: 9265 Chembo Pharma: KB-47322 Fluorochem (Depleted): 033855 PubChem: 26597296 ref: mol2,
SDF,
SMILES,
flexibase -3.17,0.48,-42.43,3,5,0, 155.157, 2 mid: mol2,
SDF,
SMILES,
flexibase -3.17,0.99,-72.35,4,5,1, 156.165, 2 mid: mol2,
SDF,
SMILES,
flexibase -3.17,1.71,-33.65,3,5,0, 155.157, 2 hi: mol2,
SDF,
SMILES,
flexibase -3.17,1.1,-50.1,2,5,-1, 154.149, 2
Similar to: 15443017,
|  |
15443017 #57
 
| Capot Chemical: 9265 Chembo Pharma: KB-47322 Fluorochem (Depleted): 033855 PubChem: 26597298 ref: mol2,
SDF,
SMILES,
flexibase -3.17,0.49,-41.87,3,5,0, 155.157, 2 mid: mol2,
SDF,
SMILES,
flexibase -3.17,0.99,-71.98,4,5,1, 156.165, 2 mid: mol2,
SDF,
SMILES,
flexibase -3.17,1.73,-37.56,3,5,0, 155.157, 2 hi: mol2,
SDF,
SMILES,
flexibase -3.17,1.13,-48.42,2,5,-1, 154.149, 2
Similar to: 15443016,
|  |
39275686 #58
 
| Capot Chemical: 6857 Tetrahedron Building Blocks: TS15010 PubChem: 12732821 SureChEMBL: SCHEMBL2964435, SCHEMBL5404182, SCHEMBL1307730 ref: mol2,
SDF,
SMILES,
flexibase 2.63,4.78,-7.06,1,2,0, 182.244, 3 hi: mol2,
SDF,
SMILES,
flexibase 2.63,5.79,-49.38,0,2,-1, 181.236, 3
Similar to: 6458268,
|  |
71241962 #59
 
| AK Scientific: 7309AB Anward: ANW-58582 Ark Pharm Building Blocks: AK-80051 BePharm Building Blocks: B33912 Capot Chemical: 5384...12 total
|  |
34333791 #60
 
| BOC Sciences BB: 14572-93-1 Capot Chemical: 3168 Chembo Pharma: KB-237596 Tetrahedron Building Blocks: TS62845 PubChem: 67936099...11 total
ref: mol2,
SDF,
SMILES,
flexibase -0.03,-1.57,-4.67,5,3,0, 152.197, 2
Similar to: 406951, 4013051,
|  |
38338210 #61
 
| ACT Chemical BB: ACT04867 AK Scientific: I079 American Custom Chemicals Corp.: CCH0001241 Anward: ANW-57732 APIChem: AC-313...27 total
ref: mol2,
SDF,
SMILES,
flexibase 0.50,-1.15,-38.42,2,2,0, 126.203, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.50,0.67,-34.07,3,2,1, 127.211, 0 lo: mol2,
SDF,
SMILES,
flexibase 0.50,2,-108.74,4,2,2, 128.219, 0
Similar to: 39343584, 39343585,
|  |
21981788 #62
 
| AK Scientific: X3368 Anward: ANW-27806 Ark Pharm Building Blocks: AK-51288 BePharm Building Blocks: B102622 Capot Chemical: 5415...19 total
ref: mol2,
SDF,
SMILES,
flexibase 1.05,-1.02,-18.68,2,3,0, 189.996, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.05,-0.07,-54.23,1,3,-1, 188.988, 0
|  |
21981948 #63
 
| Anward: ANW-44939 APIChem: AC-5074 Ark Pharm Building Blocks: AK-34063 BePharm Building Blocks: B19325 Capot Chemical: 6262...8 total
ref: mol2,
SDF,
SMILES,
flexibase 1.76,1.46,-18.29,1,2,0, 147.536, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.76,0.19,-8.29,1,2,0, 147.536, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.76,0.67,-34.49,2,2,1, 148.544, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.76,0.99,-31.13,0,2,-1, 146.528, 0
|  |
21981944 #64
 
| Capot Chemical: 6247 Zylexa Pharma BB: ZP-BB-AL004544 ref: mol2,
SDF,
SMILES,
flexibase 1.89,1.57,-18.22,1,2,0, 191.987, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.89,0.3,-8.25,1,2,0, 191.987, 0 hi: mol2,
SDF,
SMILES,
flexibase 1.89,1.1,-31.41,0,2,-1, 190.979, 0 lo: mol2,
SDF,
SMILES,
flexibase 1.89,0.86,-33.74,2,2,1, 192.995, 0
|  |
75629698 #65
 
| Capot Chemical: 5651 PubChem: 44754807 Enamine BB Make on Demand: BBV-49269683 ref: mol2,
SDF,
SMILES,
flexibase 1.96,6.58,-8.28,2,6,0, 266.297, 6
|  |
8672849 #66
 
| ChemMol: 30109221, 51500818, 1033035, 44001262, 97806656 eMolecules: 23959134, 3718352 Molport: MolPort-000-000-762, MolPort-021-783-156, MolPort-005-312-388 AK Scientific: U213, I185 Aldrich CPR: CDS004728|ALDRICH...96 total
ref: mol2,
SDF,
SMILES,
flexibase -0.40,0.06,-19.16,3,3,0, 110.116, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.06,-1.85,-31.08,4,3,1, 111.124, 0
|  |
72228936 #67
 
| ChemMol: 97600093 Capot Chemical: 11504 ChiralBlock BioScience BB: 309 FineTech: FT-0603904 AKOS BB (make-on-demand): AKOS015909176...7 total
ref: mol2,
SDF,
SMILES,
flexibase 0.24,3.92,-38.54,3,2,1, 187.332, 3 hi: mol2,
SDF,
SMILES,
flexibase 0.24,3.6,-7.61,2,2,0, 186.324, 3
|  |
72228934 #68
 
| ChemMol: 97600092 Capot Chemical: 11503 ChiralBlock BioScience BB: 308 FineTech: FT-0603903 AKOS BB (make-on-demand): AKOS015909141...7 total
ref: mol2,
SDF,
SMILES,
flexibase 0.92,6.33,-38.93,3,2,1, 235.376, 4 mid: mol2,
SDF,
SMILES,
flexibase 0.92,6.03,-8.25,2,2,0, 234.368, 4
|  |
13529572 #69
 
| ChemMol: 97600091 Capot Chemical: 11501 ChiralBlock BioScience BB: 307 BindingDB.org: 50118934 ChEMBL12: CHEMBL318401...10 total
ref: mol2,
SDF,
SMILES,
flexibase -0.57,2.1,-43.12,3,2,1, 177.318, 2
|  |
72228932 #70
 
| ChemMol: 97600090 Capot Chemical: 11500 ChiralBlock BioScience BB: 306 FineTech: FT-0603900 AKOS BB (make-on-demand): AKOS015909178...7 total
ref: mol2,
SDF,
SMILES,
flexibase 0.21,3.52,-41.39,3,2,1, 205.372, 3 mid: mol2,
SDF,
SMILES,
flexibase 0.21,3.27,-4.82,2,2,0, 204.364, 3
|  |
1731932 #71
 
| Capot Chemical: 11515 ChemDB: 3964872 PubChem: 24198204, 9881138, 36691077, 36691076, 1640 SureChEMBL: SCHEMBL4981923, SCHEMBL996112 ref: mol2,
SDF,
SMILES,
flexibase 0.76,-1.31,-46.33,3,2,1, 198.673, 4
Similar to: 2504633,
|  |
4962813 #72
 
| Capot Chemical: 11652 ChemDB: 5112016 PubChem: 267175 ref: mol2,
SDF,
SMILES,
flexibase 1.81,-0.19,-47.21,1,4,-1, 230.243, 2
|  |
5497432 #73
 
| Capot Chemical: 11652 ChemDB: 5112016 PubChem: 267175 ref: mol2,
SDF,
SMILES,
flexibase 1.81,-0.25,-48.11,1,4,-1, 230.243, 2
|  |
72228925 #74
 
| ChemMol: 97600075 Capot Chemical: 10339 ChiralBlock BioScience BB: 289 PubChem: 56972103 SureChEMBL: SCHEMBL15195793...5 total
ref: mol2,
SDF,
SMILES,
flexibase 5.60,9.25,-15.04,1,11,0, 465.532, 11
|  |
59080597 #75
 
| Capot Chemical: 12334 PubChem: 57383535, 54054040, 20098249 SureChEMBL: SCHEMBL7302544 ref: mol2,
SDF,
SMILES,
flexibase -0.10,3.79,-47.04,3,5,1, 229.3, 4 mid: mol2,
SDF,
SMILES,
flexibase -0.10,3.39,-12.99,2,5,0, 228.292, 4
Similar to: 22047778,
|  |
19735209 #76
 
| ChemMol: 97805780, 44021387 Molport: MolPort-023-219-565 Scientific Exchange Building Blocks: F-396915 AK Scientific: 0758AC AKOS: AKOS000300793...59 total
ref: mol2,
SDF,
SMILES,
flexibase 1.60,4.44,-37.99,2,2,1, 191.298, 2 hi: mol2,
SDF,
SMILES,
flexibase 1.60,3.08,-2.16,1,2,0, 190.29, 2
Similar to: 21788116, 32108369, 32108370, 32116166, 32116167, ... 7 in total.
|  |
72228923 #77
 
| ChemMol: 97600072 BOC Sciences BB: 260782-41-0 Capot Chemical: 10342 ChiralBlock BioScience BB: 283 PubChem: 56972104...5 total
ref: mol2,
SDF,
SMILES,
flexibase 3.16,8.61,-12.46,0,9,0, 377.426, 5
|  |
2151 #78
 
| ChemMol: 80101504, 30101273 eMolecules: 532231 Scientific Exchange (make on demand): F-446332 Acros Organics: 25882 AK Scientific: Q815...204 total
ref: mol2,
SDF,
SMILES,
flexibase -0.95,2.75,-11.27,1,6,0, 180.167, 0
|  |
4102185 #79
 
| ChemMol: 2101362 Molport: MolPort-015-163-859 Capot Chemical: 5913 Focus Synthesis BB: FS200002 MedChem Express: HY-B1064...43 total
ref: mol2,
SDF,
SMILES,
flexibase 1.40,-6.46,-145.46,4,10,-1, 503.962, 9
Similar to: 4536296, 4536300, 4536308, 4536310, 5809136, ... 16 in total.
|  |
34045522 #80
 
| Capot Chemical: 9957 BindingDB.org: 50014534 PubChem: 14474436, 57383494 SureChEMBL: SCHEMBL2123347 The Broad via PubChem: BRD-A07195938-001-01-3...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.52,10.17,-38.7,1,4,1, 296.394, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.52,9.69,-12.21,0,4,0, 295.386, 2
|  |
34045521 #81
 
| Capot Chemical: 9957 BindingDB.org: 50014534 PubChem: 14474436, 57383494 SureChEMBL: SCHEMBL2123347 The Broad via PubChem: BRD-A07195938-001-01-3...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.52,10.4,-32.85,1,4,1, 296.394, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.52,9.92,-13.32,0,4,0, 295.386, 2
|  |
34045520 #82
 
| Capot Chemical: 9957 BindingDB.org: 50014534 PubChem: 14474436, 57383494 SureChEMBL: SCHEMBL2123347 The Broad via PubChem: BRD-A07195938-001-01-3...6 total
ref: mol2,
SDF,
SMILES,
flexibase 1.52,10.24,-37.79,1,4,1, 296.394, 2 mid: mol2,
SDF,
SMILES,
flexibase 1.52,9.77,-16.49,0,4,0, 295.386, 2
|  |
34045519 #83
 
| Capot Chemical: 9957 BindingDB.org: 50014534 Individual Suppliers: UNNAMED00000628 PubChem: 14474436, 57383494 SureChEMBL: SCHEMBL2123347...7 total
ref: mol2,
SDF,
SMILES,
flexibase 1.52,10.29,-34.63,1,4,1, 296.394, 2
|  |
40448428 #84
 
| ChemMol: 44029028 AK Scientific: Z1828 Anward: ANW-57837 Ark Pharm Building Blocks: AK-34942 Aromalake BB: LS00035...20 total
ref: mol2,
SDF,
SMILES,
flexibase 1.84,4.5,-40.62,0,3,-1, 205.111, 2
|  |
1689144 #85
 
| BOC Sciences BB: 281-33-4 Capot Chemical: 8728 NCI Plated 2007: 58580 ChemDB: 4906070 PubChem: 136108...6 total
ref: mol2,
SDF,
SMILES,
flexibase -0.04,2.83,-4.85,0,3,0, 160.109, 0
|  |
23477241 #86
 
| Capot Chemical: 17772, 8813 Alfa Chemistry (Depleted): ACM28996078 PubChem: 55251151 ref: mol2,
SDF,
SMILES,
flexibase 1.06,1.38,-128.29,6,2,2, 168.284, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.06,1.14,-40.29,5,2,1, 167.276, 0
|  |
22859823 #87
 
| Capot Chemical: 17772, 8813 Alfa Chemistry (Depleted): ACM28996078 ChemDB: 4910527 PubChem: 55251151, 70520609, 431837, 20319743 SureChEMBL: SCHEMBL10888429...12 total
ref: mol2,
SDF,
SMILES,
flexibase 1.06,1.38,-128.3,6,2,2, 168.284, 0
|  |
71609678 #88
 
| Capot Chemical: 8805 Alfa Chemistry (Depleted): ACM19740342 ChemDB: 7556719 PubChem: 140578 SureChEMBL: SCHEMBL1397352...6 total
ref: mol2,
SDF,
SMILES,
flexibase 4.25,7.25,0.12,0,0,0, 164.292, 0
|  |
44563892 #89
 
| Capot Chemical: 12329 PubChem: 57383532 ref: mol2,
SDF,
SMILES,
flexibase 1.46,7.63,-61.25,1,9,-1, 385.437, 9
|  |
44563890 #90
 
| Capot Chemical: 12326 PubChem: 57383529 ref: mol2,
SDF,
SMILES,
flexibase 1.73,8.27,-66.71,1,9,-1, 399.464, 10
|  |
44563888 #91
 
| BOC Sciences BB: 158211-50-8 Capot Chemical: 12323 PubChem: 57383527 ref: mol2,
SDF,
SMILES,
flexibase 1.58,9.23,-64.71,1,11,-1, 451.5, 9 lo: mol2,
SDF,
SMILES,
flexibase 1.58,9.69,-80.93,2,11,0, 452.508, 9
|  |
3660022 #92
 
| Capot Chemical: 12322 PubChem: 12085971, 70359526 SureChEMBL: SCHEMBL10404191 ref: mol2,
SDF,
SMILES,
flexibase 2.07,6.26,-55.23,1,7,-1, 327.401, 7
Similar to: 35900002,
|  |
44563883 #93
 
| BOC Sciences BB: 141106-60-7 Capot Chemical: 12309 AKOS BB (make-on-demand): AKOS015909882 PubChem: 18934487, 22883852 ref: mol2,
SDF,
SMILES,
flexibase 1.62,5.57,-60.28,1,8,-1, 357.427, 8
|  |
44563881 #94
 
| Capot Chemical: 12307 PubChem: 57383526 ref: mol2,
SDF,
SMILES,
flexibase 1.98,6.02,-57.26,1,8,-1, 371.454, 8
|  |
44563879 #95
 
| Capot Chemical: 12303 PubChem: 57383525 ref: mol2,
SDF,
SMILES,
flexibase 3.51,11.89,-65.87,1,10,-1, 500.572, 9
|  |
44563877 #96
 
| BOC Sciences BB: 289910-65-2 Capot Chemical: 12300 PubChem: 57383524, 59256422 ref: mol2,
SDF,
SMILES,
flexibase 3.50,9.58,-63.37,1,8,-1, 433.525, 9
|  |
19363630 #97
 
| ChemMol: 98000538, 97800238, 30104960, 1203266 eMolecules: 535903 Molport: MolPort-001-000-951, MolPort-016-965-514 Scientific Exchange (make on demand): R-019647 Acorn PharmaTech: ACN-S003156...133 total
ref: mol2,
SDF,
SMILES,
flexibase 3.49,8.09,-41.52,2,2,1, 287.814, 3 hi: mol2,
SDF,
SMILES,
flexibase 3.49,6.76,-2.45,1,2,0, 286.806, 3
Similar to: 31332423, 31332429, 34340667,
|  |
38478313 #98
 
| ChemMol: 44032868 BOC Sciences BB: 104740-55-8 Capot Chemical: 12274 Chembo Pharma: KB-218690 FineTech: FT-0604310...14 total
ref: mol2,
SDF,
SMILES,
flexibase 0.48,3.11,-50.27,3,5,1, 264.349, 5 lo: mol2,
SDF,
SMILES,
flexibase 0.48,5.31,-126.89,4,5,2, 265.357, 5
Similar to: 39320562, 34460852, 5923313, 6475181, 38235264, ... 5 in total.
|  |
36278833 #99
 
| Capot Chemical: 12269 Chembo Pharma: KB-202668 Chemstep: 71968 FineTech: FT-0604305 PubChem: 13066076...7 total
ref: mol2,
SDF,
SMILES,
flexibase -0.73,-1.6,-43.35,3,5,1, 188.251, 4
|  |
36278883 #100
 
| Capot Chemical: 12268 Chembo Pharma: KB-201198 FineTech: FT-0604304 PubChem: 13066077 Enamine BB Make on Demand: BBV-39140251...6 total
ref: mol2,
SDF,
SMILES,
flexibase -0.13,-0.67,-43.03,3,5,1, 202.278, 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 = 630 ) limit 0,100