ZINC ID
| Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure
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2538042 #1
 
| Aldrich CPR: CDS016271|ALDRICH Ark Pharm Building Blocks: AK-38233 Enamine Building Blocks: EN300-155241 Mcule: MCULE-6368012818 Molport BB: MolPort-000-891-358...12 total
ref: mol2,
SDF,
SMILES,
flexibase 1.29,3.65,-7.7,0,3,0, 138.17, 3
|  |
19316086 #2
 
| ChemMol: 44015117 eMolecules: 853838, 5769476, 44750773 Molport: MolPort-027-716-599, MolPort-000-891-982, MolPort-000-848-264 AKOS: AKOS000104461 Angene Building Blocks: AGN-PC-0JW4H2...64 total
ref: mol2,
SDF,
SMILES,
flexibase 0.38,-1.54,-7.76,3,4,0, 221.304, 3
|  |
26420999 #3
 
| Molport: MolPort-000-930-358 AK Scientific: 7258AE AKOS: AKOS003673914 Aldrich CPR: L482706|ALDRICH Alinda Building Blocks: ALBB-009792...28 total
ref: mol2,
SDF,
SMILES,
flexibase 2.37,3.57,-8,1,3,0, 189.214, 2
Similar to: 32007753, 36157466, 36157470, 36159238, 36159520, ... 14 in total.
|  |
27938 #4
 
| eMolecules: 2320875 Molport: MolPort-001-608-191 Scientific Exchange (make on demand): M-723996 AKOS: AKOS003355610 ChemBridge: 7984821...14 total
ref: mol2,
SDF,
SMILES,
flexibase 0.43,3.69,-10.45,1,6,0, 221.216, 3 ref: mol2,
SDF,
SMILES,
flexibase 0.89,1.09,-8.93,1,6,0, 221.216, 3
|  |
72209456 #5
 
| eMolecules: 31745529 Molport: MolPort-017-263-946 Mcule: MCULE-8560327242 Molport BB: MolPort-017-263-946 Princeton BioMolecular Research: OSSL_761724...11 total
ref: mol2,
SDF,
SMILES,
flexibase 0.02,0.22,-10.82,2,4,0, 175.138, 3
|  |
13466603 #6
 
| eMolecules: 29805899 Molport: MolPort-002-909-676 AK Scientific: 4721AC Alinda Building Blocks: ALBB-028883 Anward: ANW-65371...30 total
ref: mol2,
SDF,
SMILES,
flexibase -0.56,-0.92,-10.36,2,4,0, 125.131, 1
Similar to: 196524,
|  |
1640823 #7
 
| eMolecules: 31745715 AKOS: AKOS003582811 Chembo Pharma: KB-224656 Mcule: MCULE-6138311725 Molport BB: MolPort-004-968-998...19 total
ref: mol2,
SDF,
SMILES,
flexibase 1.98,-1.41,-4.19,1,1,0, 142.223, 1
|  |
72209459 #8
 
| eMolecules: 31745535 Molport: MolPort-017-263-950 Mcule: MCULE-4162316078 Molport BB: MolPort-017-263-950 Princeton BioMolecular Research: OSSL_761739...8 total
ref: mol2,
SDF,
SMILES,
flexibase 2.16,5.92,-10.04,1,5,0, 271.246, 2 mid: mol2,
SDF,
SMILES,
flexibase 2.16,6.03,-8.74,1,5,0, 271.246, 2 hi: mol2,
SDF,
SMILES,
flexibase 2.16,5.88,-38.12,0,5,-1, 270.238, 2
|  |
12398478 #9
 
| eMolecules: 18080642, 31745539 Molport: MolPort-004-798-121 Ark Pharm Building Blocks: AK143686, AK143685 Chemstep: 69259, 47145 Fluorochem: 044598...27 total
ref: mol2,
SDF,
SMILES,
flexibase 0.46,3.8,-6.83,0,5,0, 157.125, 3 ref: mol2,
SDF,
SMILES,
flexibase 0.77,2.42,-37.1,0,5,-1, 156.117, 3
|  |
72209462 #10
 
| eMolecules: 45907953 Molport: MolPort-017-263-954 Mcule: MCULE-5195370291 Molport BB: MolPort-017-263-954 Princeton BioMolecular Research: OSSL_761748...11 total
ref: mol2,
SDF,
SMILES,
flexibase 1.16,2.24,-7.51,1,4,0, 167.212, 3
|  |
34411984 #11
 
| ChemMol: 30115650, 96701722, 44025175 eMolecules: 28284364 Molport: MolPort-004-782-400 AK Scientific: W3298 Aldrich CPR: SYX00074|ALDRICH...60 total
ref: mol2,
SDF,
SMILES,
flexibase 1.32,2.77,-6.68,0,2,0, 161.002, 0
|  |
20443702 #12
 
| eMolecules: 31745561 Enamine Building Blocks: EN300-155271 Mcule: MCULE-8491335694 Molport BB: MolPort-008-421-299 Princeton BioMolecular Research: OSSL_761756...13 total
ref: mol2,
SDF,
SMILES,
flexibase 0.11,3.21,-6.96,0,3,0, 124.143, 1 lo: mol2,
SDF,
SMILES,
flexibase 0.11,3.65,-34.16,1,3,1, 125.151, 1
|  |
20443698 #13
 
| eMolecules: 31745563 Enamine Building Blocks: EN300-155265 Mcule: MCULE-8342709111 Molport BB: MolPort-008-421-298 Princeton BioMolecular Research: OSSL_761757...12 total
ref: mol2,
SDF,
SMILES,
flexibase 0.11,3.21,-14.89,0,3,0, 124.143, 1 lo: mol2,
SDF,
SMILES,
flexibase 0.11,3.6,-31.52,1,3,1, 125.151, 1
|  |
6855063 #14
 
| eMolecules: 3801106 Molport: MolPort-019-938-303, MolPort-001-002-687 Scientific Exchange (make on demand): F-367510 AK Scientific: 0782AC AKOS: AKOS000297168...69 total
ref: mol2,
SDF,
SMILES,
flexibase 0.72,2.42,-28.82,3,3,1, 152.152, 0 ref: mol2,
SDF,
SMILES,
flexibase 0.72,2.42,-28.84,3,3,1, 152.152, 0 ref: mol2,
SDF,
SMILES,
flexibase 1.35,2.24,-6.43,3,3,0, 151.144, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.35,2.33,-32.1,4,3,1, 152.152, 0 mid: mol2,
SDF,
SMILES,
flexibase 1.35,2.17,-7.18,3,3,0, 151.144, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.72,2.28,-9.03,2,3,0, 151.144, 0 mid: mol2,
SDF,
SMILES,
flexibase 0.72,2.28,-9.03,2,3,0, 151.144, 0 hi: mol2,
SDF,
SMILES,
flexibase 0.72,2.33,-37.58,1,3,-1, 150.136, 0 hi: mol2,
SDF,
SMILES,
flexibase 0.72,2.33,-37.56,1,3,-1, 150.136, 0
|  |
72209471 #15
 
| eMolecules: 31745577 Molport: MolPort-017-263-965 Mcule: MCULE-2079668699 Molport BB: MolPort-017-263-965 Princeton BioMolecular Research: OSSL_761765...11 total
ref: mol2,
SDF,
SMILES,
flexibase -0.18,0.57,-10.72,1,4,0, 139.158, 1
|  |
57324128 #16
 
| eMolecules: 45907955 Molport: MolPort-017-263-966 Mcule: MCULE-2507503512 Molport BB: MolPort-017-263-966 Princeton BioMolecular Research: OSSL_761766...13 total
ref: mol2,
SDF,
SMILES,
flexibase 2.73,2.41,-10.4,1,4,0, 217.171, 4
|  |
12505832 #17
 
| eMolecules: 45907957 Molport: MolPort-035-394-130, MolPort-005-311-404, MolPort-017-263-968 American Custom Chemicals Corp.: CHM0103932 Enamine Building Blocks: EN300-28806 Fluorochem: 350827...19 total
ref: mol2,
SDF,
SMILES,
flexibase 0.50,1.32,-7.66,1,4,0, 153.185, 1 ref: mol2,
SDF,
SMILES,
flexibase 0.50,1.14,-9.78,1,4,0, 153.185, 1
|  |
20217902 #18
 
| eMolecules: 31745252 Mcule: MCULE-7950682084 Molport BB: MolPort-000-899-025 Princeton BioMolecular Research: OSSL_761770 TimTec: ST45255726...14 total
ref: mol2,
SDF,
SMILES,
flexibase 1.11,4.21,-8.9,2,3,0, 173.219, 1
Similar to: 34599242, 36977656, 36978013, 39334932, ... 4 in total.
|  |
72209476 #19
 
| eMolecules: 31745593 Molport: MolPort-017-263-972 Mcule: MCULE-3123799667 Molport BB: MolPort-017-263-972 Princeton BioMolecular Research: OSSL_761776...12 total
ref: mol2,
SDF,
SMILES,
flexibase -0.95,-2.28,-9.75,4,5,0, 140.146, 1
|  |
72209480 #20
 
| eMolecules: 45907961 Molport: MolPort-017-263-977 Mcule: MCULE-6334153569 Molport BB: MolPort-017-263-977 Princeton BioMolecular Research: OSSL_761782...11 total
ref: mol2,
SDF,
SMILES,
flexibase 2.98,2.88,-9.53,1,3,0, 201.172, 4
|  |
72209484 #21
 
| eMolecules: 31745617 Molport: MolPort-017-263-980 Mcule: MCULE-5741529575 Molport BB: MolPort-017-263-980 Princeton BioMolecular Research: OSSL_761790...10 total
ref: mol2,
SDF,
SMILES,
flexibase 1.38,4.33,-13.06,0,4,0, 208.139, 4
|  |
72209485 #22
 
| eMolecules: 31745619 Molport: MolPort-017-263-981 Alinda Building Blocks: ALBB-026397 ChemDiv BuildingBlocks: BB57-7219 Fluorochem: 375506...15 total
ref: mol2,
SDF,
SMILES,
flexibase 1.54,3.4,-6.48,1,4,0, 190.149, 4 mid: mol2,
SDF,
SMILES,
flexibase 1.54,3.38,-8.02,1,4,0, 190.149, 4
|  |
19090102 #23
 
| eMolecules: 5414279 Aldrich CPR: CBR01381|ALDRICH Ark Pharm Building Blocks: AK-94929 ChemBridge BuildingBlocks: 4014354 Fluorochem: 309391...20 total
ref: mol2,
SDF,
SMILES,
flexibase 0.75,2.62,-6.27,2,3,0, 125.175, 1
|  |
2537237 #24
 
| eMolecules: 31641375, 46468807 Mcule: MCULE-5461459345 Molport BB: MolPort-000-890-595 Princeton BioMolecular Research: OSSL_761798, OSSL_761797 TimTec: ST45255752...19 total
ref: mol2,
SDF,
SMILES,
flexibase -0.39,-0.85,-8.7,3,5,0, 168.2, 2
|  |
34925187 #25
 
| eMolecules: 31745629 Molport: MolPort-017-263-988 AK Scientific: Z9364 Combi-Blocks: QB-2996 Fluorochem: 387514...16 total
ref: mol2,
SDF,
SMILES,
flexibase 0.51,-1.27,-9.21,3,4,0, 179.101, 2 mid: mol2,
SDF,
SMILES,
flexibase 0.51,-1.3,-6.62,3,4,0, 179.101, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.51,-1.46,-31.11,2,4,-1, 178.093, 2
|  |
72209489 #26
 
| Molport: MolPort-017-263-989 Mcule: MCULE-8949861329 Molport BB: MolPort-017-263-989 Zelinsky Institute: UZI/0200201 Zelinsky Institute Building Blocks: B047161...8 total
ref: mol2,
SDF,
SMILES,
flexibase 0.58,-0.16,-7.34,2,4,0, 193.128, 2
|  |
72209490 #27
 
| eMolecules: 31745635 Molport: MolPort-017-263-990 Mcule: MCULE-8346463915 Molport BB: MolPort-017-263-990 Princeton BioMolecular Research: OSSL_761803...11 total
ref: mol2,
SDF,
SMILES,
flexibase 0.00,-0.8,-10.98,2,4,0, 161.111, 2
|  |
2537323 #28
 
| eMolecules: 31641527 Mcule: MCULE-1846033674 Molport BB: MolPort-000-890-673 Princeton BioMolecular Research: OSSL_761806 TimTec: ST45255760...14 total
ref: mol2,
SDF,
SMILES,
flexibase -0.02,0.02,-8.65,3,5,0, 182.227, 3
|  |
20578751 #29
 
| eMolecules: 3792503 Ark Pharm Building Blocks: AK125354 ChemBridge BuildingBlocks: 4035128 Fluorochem: 035890 Mcule: MCULE-8485238773...18 total
ref: mol2,
SDF,
SMILES,
flexibase 1.11,3.34,-7.56,2,3,0, 139.202, 1 mid: mol2,
SDF,
SMILES,
flexibase 1.11,3.47,-27.72,3,3,1, 140.21, 1
|  |
72209498 #30
 
| eMolecules: 45907963 Molport: MolPort-017-263-997 Mcule: MCULE-4296420537 Molport BB: MolPort-017-263-997 Princeton BioMolecular Research: OSSL_761816...11 total
ref: mol2,
SDF,
SMILES,
flexibase 2.57,2.78,-12,1,4,0, 231.198, 5
|  |
72209499 #31
 
| eMolecules: 31745659 Molport: MolPort-017-263-998 Mcule: MCULE-8407856451 Molport BB: MolPort-017-263-998 Princeton BioMolecular Research: OSSL_761819...11 total
ref: mol2,
SDF,
SMILES,
flexibase 1.63,4.59,-10.46,0,4,0, 224.594, 4
|  |
72190653 #32
 
| eMolecules: 31745661 Molport: MolPort-017-263-999 Acorn PharmaTech: ACN-P001146 Mcule: MCULE-8579733688 Molport BB: MolPort-017-263-999...12 total
ref: mol2,
SDF,
SMILES,
flexibase 1.39,4.06,-9.61,0,4,0, 190.149, 4
|  |
72209500 #33
 
| eMolecules: 31745663 Molport: MolPort-017-264-000 Mcule: MCULE-5408933283 Molport BB: MolPort-017-264-000 Princeton BioMolecular Research: OSSL_761821...12 total
ref: mol2,
SDF,
SMILES,
flexibase 0.00,-0.77,-9.9,2,4,0, 161.111, 2
|  |
72209442 #34
 
| eMolecules: 31745509 Molport: MolPort-017-264-004 Mcule: MCULE-9282711188 Molport BB: MolPort-017-264-004 TimTec: ST45255780...10 total
ref: mol2,
SDF,
SMILES,
flexibase 0.94,2.53,-7.75,0,3,0, 143.096, 1
|  |
57324273 #35
 
| eMolecules: 45907965 Molport: MolPort-017-264-005 Mcule: MCULE-4854532796 Molport BB: MolPort-017-264-005 Princeton BioMolecular Research: OSSL_761827...13 total
ref: mol2,
SDF,
SMILES,
flexibase 2.52,2.45,-8.36,1,3,0, 201.172, 3
|  |
37756073 #36
 
| eMolecules: 45907967 Molport: MolPort-014-468-385 Mcule: MCULE-5277292973 Molport BB: MolPort-014-468-385 Princeton BioMolecular Research: OSSL_761830...13 total
ref: mol2,
SDF,
SMILES,
flexibase 2.12,3.3,-13.9,1,4,0, 245.225, 5
|  |
37756077 #37
 
| eMolecules: 45907969 Molport: MolPort-014-468-389 Mcule: MCULE-4326786551 Molport BB: MolPort-014-468-389 Princeton BioMolecular Research: OSSL_761831...13 total
ref: mol2,
SDF,
SMILES,
flexibase 3.03,4.12,-9.56,1,3,0, 229.226, 5
|  |
72209517 #38
 
| eMolecules: 45907971 Molport: MolPort-017-264-007 Mcule: MCULE-1305408944 Molport BB: MolPort-017-264-007 Princeton BioMolecular Research: OSSL_761834...11 total
ref: mol2,
SDF,
SMILES,
flexibase 0.70,1.46,-9.49,1,4,0, 189.165, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.70,2.47,-48.32,0,4,-1, 188.157, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.70,2.61,-48.6,0,4,-1, 188.157, 2
|  |
1049738 #39
 
| eMolecules: 720829 Scientific Exchange (make on demand): POD_21/0154 Acros Organics: CD08995 AKOS: AKOS000268742 Alfa-Aesar: B20417...54 total
ref: mol2,
SDF,
SMILES,
flexibase -0.98,2.33,-10.49,2,4,0, 112.136, 0
|  |
36613090 #40
 
| eMolecules: 17073373 Mcule: MCULE-6218375882 Princeton BioMolecular Research: OSSL_761933 Zelinsky Institute: UZI/0200421 PubChem: 44821229...6 total
ref: mol2,
SDF,
SMILES,
flexibase 4.00,8.94,-8.65,0,3,0, 323.314, 3
|  |
4343043 #41
 
| eMolecules: 2280621 Molport: MolPort-002-103-051 AKOS: AKOS000574567 Asinex: BAS24803852 BioBlocks: A3907/0166130...21 total
ref: mol2,
SDF,
SMILES,
flexibase 1.47,-0.06,-8.85,0,7,0, 329.154, 5
|  |
34582254 #42
 
| eMolecules: 31600751 Molport: MolPort-016-631-535 Ark Pharm Building Blocks: AK125778 ChemBridge BuildingBlocks: 4041101 Fluorochem: 063030...17 total
ref: mol2,
SDF,
SMILES,
flexibase 0.85,3.42,-12.47,0,3,0, 122.127, 1
|  |
36108798 #43
 
| eMolecules: 30070621 Molport: MolPort-008-821-500 Ark Pharm Building Blocks: AK125692 ChemBridge BuildingBlocks: 4040416 Enamine Building Blocks: EN300-76987...21 total
ref: mol2,
SDF,
SMILES,
flexibase 0.85,3.38,-13.42,0,3,0, 122.127, 1
Similar to: 39260093, 39291325,
|  |
35655629 #44
 
| Mcule: MCULE-7976639033 Molport BB: MolPort-006-389-174 TimTec: ST45054997 TimTec Building Blocks: SBB026929 Zelinsky Institute: UZI/0200492...7 total
ref: mol2,
SDF,
SMILES,
flexibase 0.97,4.76,-8.95,1,6,0, 235.243, 4 hi: mol2,
SDF,
SMILES,
flexibase 1.43,2.59,-42.11,0,6,-1, 234.235, 4
|  |
35655632 #45
 
| Mcule: MCULE-8410524565 Molport BB: MolPort-006-389-178 TimTec Building Blocks: SBB026939 Zelinsky Institute: UZI/0200495 Zelinsky Institute Building Blocks: B038950...7 total
ref: mol2,
SDF,
SMILES,
flexibase 1.46,6.29,-12.45,0,5,0, 219.244, 4
|  |
35655636 #46
 
| Molport BB: MolPort-006-389-182 Zelinsky Institute: UZI/0200498 Zelinsky Institute Building Blocks: B038981 PubChem: 45602125 ref: mol2,
SDF,
SMILES,
flexibase 2.64,6.31,-6.48,0,3,0, 306.181, 5
|  |
31775989 #47
 
| eMolecules: 10354760 Scientific Exchange Building Blocks: F-399610 Enamine Building Blocks: EN300-69709 IBScreen: STOCK6S-81396 IBScreen BuildingBlocks: BB_SC-06384...21 total
ref: mol2,
SDF,
SMILES,
flexibase 0.67,4.21,-10.68,0,4,0, 175.191, 1
|  |
35655639 #48
 
| Mcule: MCULE-3885549386 Molport BB: MolPort-006-389-187 TimTec: ST45055007 TimTec Building Blocks: SBB026949 Zelinsky Institute: UZI/0200502...7 total
ref: mol2,
SDF,
SMILES,
flexibase 0.69,2.35,-26.85,0,6,0, 247.272, 6
|  |
35655642 #49
 
| Chemstep: 69699 Mcule: MCULE-2568269054 Molport BB: MolPort-004-798-395 TimTec: ST45055009 TimTec Building Blocks: SBB026953...9 total
ref: mol2,
SDF,
SMILES,
flexibase 1.09,1.32,-9.76,1,4,0, 164.164, 0
|  |
19268470 #50
 
| Alinda Building Blocks: ALBB-021623 ChemDiv BuildingBlocks: BB57-3123 Fluorochem: 372446 Mcule: MCULE-3340818040 Molport BB: MolPort-004-313-735...14 total
ref: mol2,
SDF,
SMILES,
flexibase 3.32,6.15,-5.5,2,2,0, 233.698, 3
Similar to: 21800193, 21815807, 32103413, 32103415, 32103418, ... 15 in total.
|  |
77202 #51
 
| ChemMol: 1035988, 44029262, 96701033 eMolecules: 508750 Molport: MolPort-000-004-473 Scientific Exchange (make on demand): F-183182 AKOS: AKOS000128441...87 total
ref: mol2,
SDF,
SMILES,
flexibase 0.35,4.75,-7.23,2,3,0, 159.192, 1 mid: mol2,
SDF,
SMILES,
flexibase 0.35,5.26,-30.43,3,3,1, 160.2, 1
Similar to: 34318806, 34318807, 34463246, 34617259, 38251535, ... 6 in total.
|  |
384295 #52
 
| ChemMol: 44030228 eMolecules: 2590613 Molport: MolPort-003-656-899 AKOS: AKOS001769240 Enamine Building Blocks: EN300-84758...27 total
ref: mol2,
SDF,
SMILES,
flexibase 0.78,2.52,-10.13,3,5,0, 201.251, 4
Similar to: 6265597,
|  |
35655658 #53
 
| Mcule: MCULE-8222948776 Molport BB: MolPort-006-389-203 TimTec Building Blocks: SBB026980 Zelinsky Institute: UZI/0200522 Zelinsky Institute Building Blocks: B039092...6 total
ref: mol2,
SDF,
SMILES,
flexibase 0.84,6.54,-16.83,2,6,0, 260.345, 3 lo: mol2,
SDF,
SMILES,
flexibase 0.84,6.67,-38.1,3,6,1, 261.353, 3
|  |
35655670 #54
 
| Mcule: MCULE-3571085404 Molport BB: MolPort-006-389-213 TimTec: ST45055032 TimTec Building Blocks: SBB026991 Zelinsky Institute: UZI/0200529...8 total
ref: mol2,
SDF,
SMILES,
flexibase 1.50,6.74,-18.68,2,6,0, 274.372, 3
|  |
35655671 #55
 
| Mcule: MCULE-3571085404 Molport BB: MolPort-006-389-213 TimTec: ST45055032 TimTec Building Blocks: SBB026991 Zelinsky Institute: UZI/0200529...8 total
ref: mol2,
SDF,
SMILES,
flexibase 1.50,7.2,-18.53,2,6,0, 274.372, 3
|  |
35655672 #56
 
| Mcule: MCULE-7340131242 Molport BB: MolPort-006-389-214 TimTec: ST45055033 TimTec Building Blocks: SBB026992 Zelinsky Institute: UZI/0200530...7 total
ref: mol2,
SDF,
SMILES,
flexibase 1.24,6.36,-10.69,2,6,0, 280.763, 2
|  |
35655681 #57
 
| Molport BB: MolPort-006-389-223 Oakwood Chemical: 070364 TimTec: ST45055044 TimTec Building Blocks: SBB027003 Zelinsky Institute: UZI/0200541...9 total
ref: mol2,
SDF,
SMILES,
flexibase 2.87,7.09,-5.26,1,3,0, 263.288, 5
Similar to: 36612849, 36613245,
|  |
2527533 #58
 
| ChemMol: 44021844, 97805199 eMolecules: 724918 Acros Organics: MO00978 AK Scientific: Z2823 Anward: ANW-60709...36 total
ref: mol2,
SDF,
SMILES,
flexibase 2.26,2.56,-7.08,0,2,0, 228.999, 1
Similar to: 26513441,
|  |
71791923 #59
 
| eMolecules: 31745367 Molport: MolPort-017-264-075 Fluorochem: 070107 Mcule: MCULE-7153637939 Molport BB: MolPort-017-264-075...14 total
ref: mol2,
SDF,
SMILES,
flexibase 0.65,1.35,-8.02,1,3,0, 194.156, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.65,1.78,-41.9,0,3,-1, 193.148, 2
|  |
71791924 #60
 
| eMolecules: 31745367 Molport: MolPort-017-264-075 Fluorochem: 070107 Mcule: MCULE-7153637939 Molport BB: MolPort-017-264-075...14 total
ref: mol2,
SDF,
SMILES,
flexibase 0.65,1.31,-7.97,1,3,0, 194.156, 2 hi: mol2,
SDF,
SMILES,
flexibase 0.65,1.75,-41.93,0,3,-1, 193.148, 2
|  |
71791889 #61
 
| eMolecules: 31745371 Molport: MolPort-017-264-077 Fluorochem: 070022 KeyOrganics: FS-2659 Mcule: MCULE-9330449607...17 total
ref: mol2,
SDF,
SMILES,
flexibase 1.26,3.71,-6.76,1,4,0, 168.196, 3
|  |
19502654 #62
 
| eMolecules: 29706236 Enamine Building Blocks: EN300-52480 Fluorochem: 070156 Mcule: MCULE-4355173510 Molport BB: MolPort-004-344-442...17 total
ref: mol2,
SDF,
SMILES,
flexibase 2.78,3.83,-4.91,2,2,0, 205.179, 3
|  |
70913359 #63
 
| eMolecules: 31745397 Molport: MolPort-017-264-084 Fluorochem: 070048 Mcule: MCULE-3284057475 Molport BB: MolPort-017-264-084...13 total
ref: mol2,
SDF,
SMILES,
flexibase 1.19,3.15,-6.57,2,3,0, 179.145, 3
|  |
71791901 #64
 
| eMolecules: 31745403 Molport: MolPort-017-264-087 Fluorochem: 070049 Mcule: MCULE-9454255964 Molport BB: MolPort-017-264-087...12 total
ref: mol2,
SDF,
SMILES,
flexibase 1.19,3.06,-5.94,2,3,0, 179.145, 3 lo: mol2,
SDF,
SMILES,
flexibase 1.19,3.22,-32.29,3,3,1, 180.153, 3
|  |
57488727 #65
 
| eMolecules: 31745411 Molport: MolPort-017-264-089 AK Scientific: 6405AC Aldrich CPR: JRD0159|ALDRICH Anward: ANW-63826...24 total
ref: mol2,
SDF,
SMILES,
flexibase 1.79,2.66,-14.52,1,3,0, 193.177, 2
|  |
1383169 #66
 
| eMolecules: 4850721 AK Scientific: W6299 Aldrich CPR: JRD0148|ALDRICH, CDS016477|ALDRICH Angene Building Blocks: AGN-PC-0K5OEG Anward: ANW-47198...44 total
ref: mol2,
SDF,
SMILES,
flexibase 2.30,-0.44,-11.04,1,3,0, 209.632, 2
|  |
26421025 #67
 
| eMolecules: 27512459 Molport: MolPort-007-995-124 Life Chemicals: F2135-0543 Life Chemicals Building Blocks: F2135-0543 Mcule: MCULE-5772425305...15 total
ref: mol2,
SDF,
SMILES,
flexibase 1.81,1.57,-10.24,1,5,0, 219.196, 2
Similar to: 38257127,
|  |
4277358 #68
 
| eMolecules: 727216 Acros Organics: CC34909 AK Scientific: Y4267 AKOS: AKOS000126560 Ark Pharm Building Blocks: AK125488...32 total
ref: mol2,
SDF,
SMILES,
flexibase 1.06,1.1,-7.47,1,4,0, 165.148, 2
|  |
2561206 #69
 
| ChemMol: 44001994, 1034195, 30101506, 97801365 eMolecules: 518525 Molport: MolPort-002-461-870 Acorn PharmaTech: ACN-S003766 Acros Organics: 35802...51 total
ref: mol2,
SDF,
SMILES,
flexibase 2.53,-0.42,-5.71,2,2,0, 204.056, 1
Similar to: 39318835, 39318837,
|  |
12370768 #70
 
| eMolecules: 17002008 Acros Organics: CC64504 AK Scientific: 1228AC Anward: ANW-72129 Ark Pharm Building Blocks: AK-55066...34 total
ref: mol2,
SDF,
SMILES,
flexibase 2.12,2.47,-7.7,0,3,0, 173.171, 2
Similar to: 34455501,
|  |
40448375 #71
 
| ChemMol: 96711705, 44035150 eMolecules: 29916029 AK Scientific: W6943 Angene Building Blocks: AGN-PC-0NI2JQ Anward: ANW-32307...47 total
ref: mol2,
SDF,
SMILES,
flexibase 1.31,4.04,-10.36,0,3,0, 198.023, 0
|  |
2560126 #72
 
| ChemMol: 1200322, 1037362, 98001886 eMolecules: 907243 AK Scientific: V8123 AKOS: AKOS000103757 Alfa-Aesar: H26580...53 total
ref: mol2,
SDF,
SMILES,
flexibase 2.32,2.61,-9.91,0,2,0, 172.13, 3
|  |
72209407 #73
 
| eMolecules: 31745335 Molport: MolPort-017-264-104 Alinda Building Blocks: ALBB-027904 Mcule: MCULE-6999424363 Molport BB: MolPort-017-264-104...11 total
ref: mol2,
SDF,
SMILES,
flexibase 0.33,2.95,-8.3,2,5,0, 189.222, 2
|  |
70646775 #74
 
| eMolecules: 31745467 Molport: MolPort-017-264-106 Mcule: MCULE-9837289549 Molport BB: MolPort-017-264-106 Princeton BioMolecular Research: OSSL_762043...13 total
ref: mol2,
SDF,
SMILES,
flexibase -0.55,-0.44,-8.6,3,6,0, 196.21, 1
|  |
2389916 #75
 
| ChemMol: 44028202 eMolecules: 10653458 Acorn PharmaTech: ACN-P000943 AK Scientific: W5322 Aldrich CPR: CDS008901|ALDRICH...52 total
ref: mol2,
SDF,
SMILES,
flexibase 0.00,1.42,-8.47,1,3,0, 93.089, 0
|  |
70646811 #76
 
| eMolecules: 31745469 Molport: MolPort-017-264-107 Mcule: MCULE-7861793960 Molport BB: MolPort-017-264-107 Princeton BioMolecular Research: OSSL_762052...14 total
ref: mol2,
SDF,
SMILES,
flexibase 0.51,2.01,-8.33,3,5,0, 194.238, 1
|  |
4291235 #77
 
| eMolecules: 526577 AK Scientific: Y9583 Anward: ANW-63491 Ark Pharm Building Blocks: AK-80338 BePharm Building Blocks: B105258...32 total
ref: mol2,
SDF,
SMILES,
flexibase 2.37,2.5,-5.87,0,3,0, 173.171, 2
Similar to: 32006576, 39263857, 39956208,
|  |
2548634 #78
 
| ChemMol: 97805287, 44021873 eMolecules: 31261644 AK Scientific: Z2263 Chemstep: 29742 Fluorochem: 403570...27 total
ref: mol2,
SDF,
SMILES,
flexibase -0.33,-0.42,-11.75,2,4,0, 139.158, 1
|  |
37756010 #79
 
| eMolecules: 31745475 Molport: MolPort-014-468-323 Apexmol Building Blocks: AM803135 Enamine Building Blocks: EN300-90370 Mcule: MCULE-4531489348...18 total
ref: mol2,
SDF,
SMILES,
flexibase 2.35,4.78,-10.66,0,2,0, 186.157, 4
|  |
37756013 #80
 
| eMolecules: 31745477 Molport: MolPort-014-468-326 Enamine Building Blocks: EN300-155250 Mcule: MCULE-7326028103 Molport BB: MolPort-014-468-326...14 total
ref: mol2,
SDF,
SMILES,
flexibase 1.94,4.69,-13.1,0,3,0, 216.183, 5
|  |
37755991 #81
 
| eMolecules: 31745479 Molport: MolPort-014-468-308 Mcule: MCULE-3644512581 Molport BB: MolPort-014-468-308 Princeton BioMolecular Research: OSSL_762068...13 total
ref: mol2,
SDF,
SMILES,
flexibase 2.97,6.33,-10.6,0,2,0, 214.211, 5
|  |
37755994 #82
 
| eMolecules: 31745501 Molport: MolPort-014-468-311 Mcule: MCULE-2862407150 Molport BB: MolPort-014-468-311 Princeton BioMolecular Research: OSSL_762069...14 total
ref: mol2,
SDF,
SMILES,
flexibase 2.05,5.44,-15.85,0,3,0, 230.21, 5
|  |
37756015 #83
 
| eMolecules: 31745481 Molport: MolPort-014-468-328 Enamine Building Blocks: EN300-155237 Mcule: MCULE-5029324001 Molport BB: MolPort-014-468-328...15 total
ref: mol2,
SDF,
SMILES,
flexibase 2.31,4.85,-10.67,0,2,0, 186.157, 4
|  |
37756026 #84
 
| eMolecules: 31745483 Molport: MolPort-014-468-339 Enamine Building Blocks: EN300-155246 Mcule: MCULE-4771694124 Molport BB: MolPort-014-468-339...14 total
ref: mol2,
SDF,
SMILES,
flexibase 2.12,4.85,-9.93,0,3,0, 216.183, 5
|  |
2537516 #85
 
| ChemMol: 44021874 eMolecules: 31641979 AK Scientific: Z2725 J&K Chemical: A01169642 Mcule: MCULE-2546357767...16 total
ref: mol2,
SDF,
SMILES,
flexibase 0.60,3.2,-8.36,0,3,0, 121.143, 0
Similar to: 32005608,
|  |
72209412 #86
 
| eMolecules: 31745347 Molport: MolPort-017-264-113 Mcule: MCULE-1151385561 Molport BB: MolPort-017-264-113 Princeton BioMolecular Research: OSSL_762082...12 total
ref: mol2,
SDF,
SMILES,
flexibase -0.24,2.34,-8.58,2,5,0, 175.195, 1
|  |
36165793 #87
 
| eMolecules: 31745511 Molport: MolPort-017-264-114 Mcule: MCULE-9375515843 Molport BB: MolPort-017-264-114 Princeton BioMolecular Research: OSSL_762084...13 total
ref: mol2,
SDF,
SMILES,
flexibase 0.12,2.84,-9.01,1,4,0, 179.223, 1
Similar to: 37841355, 37841603, 37841605, 37842327, 44512614, ... 5 in total.
|  |
36164768 #88
 
| eMolecules: 31745273 Molport: MolPort-017-264-115 Mcule: MCULE-1667083499 Molport BB: MolPort-017-264-115 Princeton BioMolecular Research: OSSL_762085...13 total
ref: mol2,
SDF,
SMILES,
flexibase -0.94,0.37,-9.54,1,5,0, 181.195, 1
Similar to: 36230565, 35732501,
|  |
36164724 #89
 
| eMolecules: 31745513 Molport: MolPort-017-264-117, MolPort-020-166-109 Enamine Building Blocks: EN300-73998 Mcule: MCULE-5227341391 Molport BB: MolPort-017-264-117...19 total
ref: mol2,
SDF,
SMILES,
flexibase -0.38,2.02,-9.85,1,4,0, 165.196, 1
Similar to: 36165455, 37841162, 37841324, 37841340, 37841341, ... 13 in total.
|  |
4536026 #90
 
| eMolecules: 1467190 Scientific Exchange Building Blocks: F-332565 AKOS: AKOS000218313 Asinex: BAS05307646 Fluorochem: 080086...21 total
ref: mol2,
SDF,
SMILES,
flexibase 2.94,0.84,-4.59,0,2,0, 200.285, 1
Similar to: 32122596, 34653218, 44514634,
|  |
20352137 #91
 
| eMolecules: 31745255 Mcule: MCULE-5481913942 Molport BB: MolPort-000-899-441 Princeton BioMolecular Research: OSSL_762093 TimTec: ST51154104...16 total
ref: mol2,
SDF,
SMILES,
flexibase 2.14,3.08,-7.92,2,2,0, 191.152, 3
|  |
5177836 #92
 
| eMolecules: 4858660 AKOS: AKOS001416149 American Custom Chemicals Corp.: CHM0105392 Enamine Building Blocks: EN300-28762 Fluorochem: 350812...20 total
ref: mol2,
SDF,
SMILES,
flexibase 1.23,5.24,-9.57,1,4,0, 201.229, 2 lo: mol2,
SDF,
SMILES,
flexibase 1.23,5.76,-37.43,2,4,1, 202.237, 2 lo: mol2,
SDF,
SMILES,
flexibase 1.23,5.75,-37.76,2,4,1, 202.237, 2
|  |
57324150 #93
 
| eMolecules: 45907951 Molport: MolPort-017-264-119 Mcule: MCULE-8418247258 Molport BB: MolPort-017-264-119 Princeton BioMolecular Research: OSSL_762098...13 total
ref: mol2,
SDF,
SMILES,
flexibase 2.49,2.45,-8.27,1,3,0, 201.172, 3
|  |
32132696 #94
 
| eMolecules: 31745337 Molport: MolPort-015-142-597 BioBlocks: A4574/0195758 BioBlocks BB: ZERO/010865 ChemDiv BuildingBlocks: BB54-5211...18 total
ref: mol2,
SDF,
SMILES,
flexibase -0.33,2.47,-8.05,2,5,0, 161.168, 1
Similar to: 1726458,
|  |
42384151 #95
 
| eMolecules: 30474335 Molport: MolPort-016-631-384 Aldrich CPR: CBR00929|ALDRICH Ark Pharm Building Blocks: AK-85663 ChemBridge BuildingBlocks: 4089407...26 total
ref: mol2,
SDF,
SMILES,
flexibase -1.02,-3.55,-9.15,5,5,0, 126.119, 1
|  |
2538732 #96
 
| AKOS: AKOS000132051 Mcule: MCULE-9685933516 Molport BB: MolPort-000-891-893 TimTec Building Blocks: SBB022454 Zelinsky Institute: UZI/0200678...11 total
ref: mol2,
SDF,
SMILES,
flexibase 0.38,3.01,-9.5,2,5,0, 179.158, 1
|  |
400101 #97
 
| Molport: MolPort-000-891-898 AK Scientific: 9051AC AKOS: AKOS000215525 Aldrich CPR: S836281|ALDRICH Chembo Pharma: KB-35142...43 total
ref: mol2,
SDF,
SMILES,
flexibase 2.98,-1.08,-4.51,2,1,0, 201.294, 2
Similar to: 6093318, 6116161, 6116164, 34472236, 38589780, ... 5 in total.
|  |
12357646 #98
 
| AKOS: AKOS000311087 Matrix Scientific: 022409 Mcule: MCULE-8441156699 Molport BB: MolPort-000-891-938 TimTec: ST45055062...19 total
ref: mol2,
SDF,
SMILES,
flexibase 2.30,-1.16,-7.17,2,3,0, 220.659, 2 lo: mol2,
SDF,
SMILES,
flexibase 2.30,-1.05,-30.9,3,3,1, 221.667, 2
|  |
2554531 #99
 
| Enamine Building Blocks: EN300-155236 Mcule: MCULE-3777003463 Molport BB: MolPort-000-892-524 TimTec: ST45055068 TimTec Building Blocks: SBB022842...10 total
ref: mol2,
SDF,
SMILES,
flexibase 2.43,1.05,-10.84,0,3,0, 240.715, 3
|  |
3356990 #100
 
| eMolecules: 590646 ACB Blocks: AIZ-0002 AKOS: AKOS000266747 Aldrich CPR: L482900|ALDRICH Alinda Building Blocks: ALBB-005933...53 total
ref: mol2,
SDF,
SMILES,
flexibase 2.15,2.75,-8.48,2,3,0, 174.203, 1 lo: mol2,
SDF,
SMILES,
flexibase 2.15,2.7,-26.88,3,3,1, 175.211, 1
Similar to: 3704513, 3704517, 3704518, 3704523, 3704525, ... 6 in total.
|  |
Old detail retrieval took 1 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 = 638 ) limit 0,100