UCSF banner
Search Results
Initial search took 0 second(s).
Beginning : #1 Hits: 100 Display:   per page=

Download: Show Detail?
Done
ZINC ID
Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity
Structure

Click for quick 3D display
40430143
 
#1

ChemMol: 30113690, 97900254, 96706172, 44014792
Acorn PharmaTech: ACN-S001619
Active BioPharma: 405
AKOS: AKOS005145764
Anward: ANW-43329...55 total

ref: mol2, SDF, SMILES, flexibase
2.52,9.1,-26.89,1,7,0, 434.471, 4
hi: mol2, SDF, SMILES, flexibase
2.98,7.06,-66.41,0,7,-1, 433.463, 4
39716080
 
#2

ChemMol: 44028791
Molport: MolPort-016-633-238
AK Scientific: X7495
American Custom Chemicals Corp.: KIN0000456
Chembo Pharma: KB-48109...33 total

ref: mol2, SDF, SMILES, flexibase
4.28,9.55,-18.35,3,8,0, 512.9, 7
3819138
 
#3

ChemMol: 30117332, 44014776
AKOS: AKOS005145763
American Custom Chemicals Corp.: API0007667
APIChem: AC-24699
Ark Pharm Building Blocks: AK161692...72 total

ref: mol2, SDF, SMILES, flexibase
2.60,-8.97,-10.83,4,6,0, 408.878, 6

Similar to: 34636597, 34642567, 34661232, 36475438, 36520252, ... 7 in total.
3992480
 
#4

Excenen: EX-A006
Toronto Research Chemicals: T015650, T015652
BindingDB.org: 50326056
ChEBI: CHEBI:68595
ChEMBL DrugStore: CHEMBL231813...25 total

ref: mol2, SDF, SMILES, flexibase
2.76,8.42,-16.9,4,13,0, 679.863, 14
590964
 
#5

ChemMol: 44029102
Molport: MolPort-016-633-360
AK Scientific: X7508
Chembo Pharma: KB-80834
Excenen: EX-A007...42 total

ref: mol2, SDF, SMILES, flexibase
3.78,-2.8,-17.06,2,8,0, 409.833, 6

Similar to: 34575822, 38415549,
3959536
 
#6

ChemMol: 44027314, 97900252
Molport: MolPort-020-000-498
Active BioPharma: 403
AK Scientific: X7574
Aldrich CPR: CDS019054|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
2.27,-3.09,-20.25,2,6,0, 369.428, 3

Similar to: 14976362, 14976364, 27180374, 27181410, 27182176, ... 10 in total.
13684256
 
#7

ChemMol: 44029107, 30111184
AK Scientific: X2635, SYN1134
AKOS: AKOS015920386
APIChem: AC-5252
Ark Pharm Building Blocks: AK-41798...41 total

ref: mol2, SDF, SMILES, flexibase
3.08,5.6,-15.1,2,7,0, 370.384, 5

Similar to: 34845483, 3937940,
36377992
 
#8

ChemMol: 44029109
Molport: MolPort-021-805-020
Active BioPharma: 18
AK Scientific: Y0260, SYN1093
Capot Chemical: 22492...38 total

ref: mol2, SDF, SMILES, flexibase
3.26,5.98,-25.03,4,6,0, 404.323, 4
6718813
 
#9

ChemMol: 30116791, 97300963
Acorn PharmaTech: ACN-S001720
Active BioPharma: 26
AK Scientific: X7465, SYN1002
APIChem: AC-24279...55 total

ref: mol2, SDF, SMILES, flexibase
4.73,7.88,-12.09,5,6,0, 375.407, 3

Similar to: 34587640, 38210676,
31773258
 
#10

ChemMol: 44014774
AK Scientific: X2640, SYN1016
Angene Building Blocks: AGN-PC-0SWXVR
Anward: ANW-45526
Apexmol Building Blocks: AM808016...55 total

ref: mol2, SDF, SMILES, flexibase
3.42,6.81,-25.34,3,7,0, 457.687, 6
lo: mol2, SDF, SMILES, flexibase
3.42,7.25,-59.59,4,7,1, 458.695, 6

Similar to: 34444616, 34470919, 34534646, 34587830, 38412841, ... 9 in total.
43100709
 
#11

Chembo Pharma: KB-52302
Excenen: EX-A022
ChEBI: CHEBI:75998, CHEBI:75991
ChEMBL DrugStore: CHEMBL2103875
ChEMBL19: CHEMBL2103875...41 total

ref: mol2, SDF, SMILES, flexibase
4.12,12.09,-13.41,2,9,0, 615.403, 5
13983243
 
#12

ChemMol: 97901291, 44032789, 44034969
Acorn PharmaTech: ACN-S001855
Active BioPharma: 2566
AK Scientific: X7408
Cayman Chemical: 10007707...19 total

ref: mol2, SDF, SMILES, flexibase
1.25,1.79,-13.38,1,5,0, 257.274, 1

Similar to: 12504504,
22056928
 
#13

ChemMol: 97900249, 44031297
Active BioPharma: 400
AK Scientific: X7602
Anward: ANW-62574
Ark Pharm Building Blocks: AK101890...37 total

ref: mol2, SDF, SMILES, flexibase
3.48,9.91,-17.73,2,6,0, 463.484, 5

Similar to: 27108312, 34358281, 34358282, 38804747, 38804750, ... 10 in total.
36056301
 
#14

ChemMol: 44034267, 44028794
Molport: MolPort-016-633-318
AK Scientific: X7434, SYN1181
Capot Chemical: 22482
Chembo Pharma: KB-59945...38 total

ref: mol2, SDF, SMILES, flexibase
1.70,5.11,-9.67,4,7,0, 308.345, 2
ref: mol2, SDF, SMILES, flexibase
2.19,6.1,-14.78,6,7,0, 310.361, 1
mid: mol2, SDF, SMILES, flexibase
2.19,5.6,-10.5,5,7,0, 309.353, 1
68202727
 
#15

Chembo Pharma: KB-145989
Excenen: EX-A035
Individual Suppliers: hzsuncompound09
ShangHai Biochempartner (Depleted): BCP0725000296, BCP9000634, BCPS000288
ref: mol2, SDF, SMILES, flexibase
3.09,3.43,-24.9,2,11,0, 574.671, 16
mid: mol2, SDF, SMILES, flexibase
3.09,5.7,-61.56,3,11,1, 575.679, 16
hi: mol2, SDF, SMILES, flexibase
3.09,4.22,-66.16,1,11,-1, 573.663, 16
34048998
 
#16

ChemMol: 44032806
AK Scientific: Y0272, SYN1094
Capot Chemical: 22459
Cayman Chemical: 13576
Chembo Pharma: KB-81527...24 total

ref: mol2, SDF, SMILES, flexibase
2.71,4.42,-24.46,3,10,0, 467.489, 4
lo: mol2, SDF, SMILES, flexibase
2.71,4.89,-61.21,4,10,1, 468.497, 4
1488870
 
#17

ChemMol: 44034968, 44029503, 30114259
Molport: MolPort-005-942-713
AK Scientific: V2451
APIChem: AC-8968
Ark Pharm Building Blocks: AK158952...89 total

ref: mol2, SDF, SMILES, flexibase
2.03,5.3,-15.7,4,7,0, 376.416, 7
lo: mol2, SDF, SMILES, flexibase
2.03,5.76,-45.32,5,7,1, 377.424, 7
3963016
 
#18

ChemMol: 97900184
Molport: MolPort-009-019-225
Active BioPharma: 309
AK Scientific: SYN1065, X7432
Ark Pharm Building Blocks: AK163162...51 total

ref: mol2, SDF, SMILES, flexibase
2.75,-6.5,-13.05,1,7,0, 348.362, 2

Similar to: 39366944,
59224388
 
#19

Molport: MolPort-023-293-511
AK Scientific: X7458, SYN1150
Capot Chemical: 24448
Excenen: EX-A041
MedChem Express: HY-13246...32 total

ref: mol2, SDF, SMILES, flexibase
0.87,4.68,-17.62,3,11,0, 498.613, 5
lo: mol2, SDF, SMILES, flexibase
0.87,5,-38.86,4,11,1, 499.621, 5
68208690
 
#20

ChemMol: 44029098
Molport: MolPort-016-633-286
Ark Pharm Building Blocks: AK120419
Excenen: EX-A042
Selleck Chemicals: S2149...12 total

ref: mol2, SDF, SMILES, flexibase
3.21,7.31,-20.1,0,8,0, 456.568, 7
lo: mol2, SDF, SMILES, flexibase
3.21,7.69,-51.66,1,8,1, 457.576, 7
3816311
 
#21

AK Scientific: X5833
Chembo Pharma: KB-78237
Excenen: EX-A043
Ryan Scientific: 048-05022
Ryan Scientific BB: 093-62346...21 total

ref: mol2, SDF, SMILES, flexibase
4.20,-5.53,-12.94,1,4,0, 415.117, 3
52509466
 
#22

ChemMol: 44029110
Molport: MolPort-016-633-234
AK Scientific: SYN1166, X7420
Ark Pharm Building Blocks: AK109550
BePharm Building Blocks: B226378...50 total

ref: mol2, SDF, SMILES, flexibase
3.39,9.2,-16.08,1,9,0, 465.554, 5
49019448
 
#23

ChemMol: 97901339, 44031098
Molport: MolPort-018-493-667
Active BioPharma: 2629
AK Scientific: SYN1050, X7421
AKOS: AKOS005145564...39 total

ref: mol2, SDF, SMILES, flexibase
3.46,9.22,-17.45,1,9,0, 465.554, 5
34806477
 
#24

AK Scientific: W9480
AKOS: AKOS015851022
Angene Building Blocks: AGN-PC-0VSMAF
Anward: ANW-54164
BePharm Building Blocks: B165432...40 total

ref: mol2, SDF, SMILES, flexibase
4.03,11.17,-21.58,1,6,0, 464.444, 4
52509434
 
#25

Molport: MolPort-028-720-336
AK Scientific: Y0355
American Custom Chemicals Corp.: KIN0001438
Excenen: EX-A047
Ryan Scientific: 048-05032...67 total

ref: mol2, SDF, SMILES, flexibase
5.85,12.13,-18.14,2,6,0, 448.885, 7

Similar to: 38270726,
11677837
 
#26

ChemMol: 44014773
Molport: MolPort-006-170-153
AK Scientific: X1060
AKOS: AKOS005146204
Amadis Chemical: A846413...59 total

ref: mol2, SDF, SMILES, flexibase
1.78,-1.89,-17.12,2,9,0, 459.506, 5

Similar to: 34356650, 34357033, 34357696, 34395535, 35825726, ... 19 in total.
13986811
 
#27

ChemMol: 44032790, 44034970
Acorn PharmaTech: ACN-S001854
AK Scientific: X7532
Amadis Chemical: A846294
Chembo Pharma: KB-55057...32 total

ref: mol2, SDF, SMILES, flexibase
2.94,8.89,-15.21,4,7,0, 396.454, 6

Similar to: 38459012,
29043709
 
#28

AK Scientific: X7487
Ark Pharm Building Blocks: AK102632
Chembo Pharma: KB-55721
ChemFuture PharmTech: CFP1438
Excenen: EX-A051...25 total

ref: mol2, SDF, SMILES, flexibase
4.17,13.75,-41.34,2,7,0, 517.611, 8
mid: mol2, SDF, SMILES, flexibase
4.17,14.23,-66.3,3,7,1, 518.619, 8
1649340
 
#29

ChemMol: 30110844, 44029306
Molport: MolPort-003-959-463
AK Scientific: X7381
AKOS: AKOS005146319
APIChem: AC-2416...69 total

ref: mol2, SDF, SMILES, flexibase
3.65,9.65,-10.26,3,7,0, 354.458, 8
lo: mol2, SDF, SMILES, flexibase
3.65,9.9,-28.83,4,7,1, 355.466, 8
lo: mol2, SDF, SMILES, flexibase
3.65,9.47,-25.05,4,7,1, 355.466, 8

Similar to: 3939648, 3939649, 34034186, 34034297, 34337850, ... 8 in total.
6745272
 
#30

ChemMol: 44032803
AK Scientific: SYN1169
American Custom Chemicals Corp.: HCH0035009
Angene Building Blocks: AGN-PC-0U7EL8
Apexmol Building Blocks: AM81251...75 total

ref: mol2, SDF, SMILES, flexibase
4.85,-0.55,-12.57,3,7,0, 482.821, 6

Similar to: 34608578,
592419
 
#31

ChemMol: 44029463, 30116514
AK Scientific: X4421
AKOS: AKOS005146309
APIChem: AC-23383
Ark Pharm Building Blocks: AK110425...69 total

ref: mol2, SDF, SMILES, flexibase
4.26,8.04,-10.47,1,5,0, 403.212, 7

Similar to: 3982525, 3982528, 38268323,
1546066
 
#32

ChemMol: 30107529, 2101367, 44005992, 97900130, 30107530, 44005993
Molport: MolPort-003-850-391
Acorn PharmaTech: ACN-S001817
Active BioPharma: 219
AK Scientific: M375...212 total

ref: mol2, SDF, SMILES, flexibase
2.80,9.59,-15.77,1,7,0, 393.443, 10

Similar to: 1554105, 22065493, 33999342, 34613779, 34891903, ... 10 in total.
35328014
 
#33

Molport: MolPort-021-804-988
AK Scientific: SYN1171, X7513
Chembo Pharma: KB-79777
Excenen: EX-A066
MedChem Express: HY-10997A...40 total

ref: mol2, SDF, SMILES, flexibase
3.51,11.6,-12.09,2,8,0, 440.507, 5
3775575
 
#34

ChemMol: 97900284, 51501828, 44006138, 30107857, 51501839
eMolecules: 538892
Molport: MolPort-019-989-804, MolPort-003-665-510
TCM Database @ Taiwan: tcm03_003561
Active BioPharma: 552...151 total

ref: mol2, SDF, SMILES, flexibase
6.57,5.14,-19.48,6,8,0, 518.562, 5
hi: mol2, SDF, SMILES, flexibase
6.57,6.21,-32.82,5,8,0, 517.554, 5

Similar to: 31541910, 42889121,
14976393
 
#35

ChemMol: 44034106
Acorn PharmaTech: ACN-S001851
AK Scientific: Y0460
Ark Pharm Building Blocks: AK-83152
Bide Pharmatech BB: BD240863...18 total

ref: mol2, SDF, SMILES, flexibase
3.33,7.94,-15.57,0,7,0, 441.535, 6
lo: mol2, SDF, SMILES, flexibase
3.33,10.57,-88.84,2,7,2, 443.551, 6

Similar to: 34231811, 34350127, 38449248,
18710085
 
#36

Chembo Pharma: KB-60330
Excenen: EX-A072
MedChem Express: HY-10248
BindingDB.org: 31088, 6
ChEMBL12: CHEMBL558752...32 total

ref: mol2, SDF, SMILES, flexibase
6.48,13.65,-13.29,2,7,0, 518.421, 7
hi: mol2, SDF, SMILES, flexibase
6.48,13.23,-48.05,1,7,-1, 517.413, 7
lo: mol2, SDF, SMILES, flexibase
6.48,14.5,-94.06,4,7,2, 520.437, 7
lo: mol2, SDF, SMILES, flexibase
6.48,13.93,-42.01,3,7,1, 519.429, 7
lo: mol2, SDF, SMILES, flexibase
6.48,14.43,-89.84,4,7,2, 520.437, 7
lo: mol2, SDF, SMILES, flexibase
6.48,13.87,-39.3,3,7,1, 519.429, 7

Similar to: 34983162, 34983414, 34983416, 34983418, 34983916, ... 13 in total.
3817388
 
#37

ChemMol: 30115516, 44000563, 97901112
Active BioPharma: 2336
AK Scientific: X7425, SYN1051
APIChem: AC-23170
Capot Chemical: 22474...42 total

ref: mol2, SDF, SMILES, flexibase
5.27,-3.12,-13.35,0,4,0, 395.505, 2
27439698
 
#38

ChemMol: 44013881, 44011743, 97900148, 30110846
Molport: MolPort-006-170-085
Active BioPharma: 248
AK Scientific: Y0252
AKOS: AKOS005145818...76 total

ref: mol2, SDF, SMILES, flexibase
4.35,8.5,-12.22,2,8,0, 485.947, 9

Similar to: 34365802, 34580383, 34632685, 34643091, 34643661, ... 13 in total.
8214714
 
#39

BioSynth: W-202112
Excenen: EX-A081
Sigma Aldrich (Building Blocks): PZ0170|SIGMA
Toronto Research Chemicals: T546500
BindingDB.org: 50312718...28 total

ref: mol2, SDF, SMILES, flexibase
7.26,9.64,-15.29,0,6,0, 600.478, 10

Similar to: 34041506, 34041507, 34041508, 34041509, ... 4 in total.
14982453
 
#40

ChemMol: 44033091, 97901334, 51501806
Active BioPharma: 2620
AK Scientific: Y0214
Amadis Chemical: A847273
Cayman Chemical: 10012588...33 total

ref: mol2, SDF, SMILES, flexibase
4.72,7.39,-10.41,1,5,0, 357.793, 5
3820709
 
#41

ChemMol: 44028743
Molport: MolPort-016-633-301
AK Scientific: Y0215
Angene Building Blocks: AGN-PC-0JK739
Capot Chemical: 22464...24 total

ref: mol2, SDF, SMILES, flexibase
1.40,-2.76,-19.41,3,6,0, 265.313, 8
hi: mol2, SDF, SMILES, flexibase
1.58,-2.2,-59.78,2,6,-1, 264.305, 8
70466460
 
#42

Molport: MolPort-023-293-493
AK Scientific: X7577
American Custom Chemicals Corp.: KIN0001405
Excenen: EX-A086
MedChem Express: HY-11002...16 total

ref: mol2, SDF, SMILES, flexibase
1.28,8.35,-14.26,2,9,0, 349.354, 4
13981076
 
#43

Excenen: EX-A087
PubChem: 11785899
SureChEMBL: SCHEMBL6462089
ref: mol2, SDF, SMILES, flexibase
6.81,15.87,-17.43,2,7,0, 531.641, 11
64746555
 
#44

Chembo Pharma: KB-80787
Excenen: EX-A088
BindingDB.org: 50358430, 92453
ChEMBL12: CHEMBL1614725
ChEMBL19: CHEMBL1614725...17 total

ref: mol2, SDF, SMILES, flexibase
5.52,12.02,-22.99,3,8,0, 547.965, 10
43174901
 
#45

Molport: MolPort-027-720-961
AK Scientific: Y0375
Excenen: EX-A089
Molport BB: MolPort-027-720-961
Ryan Scientific: 048-05030...13 total

ref: mol2, SDF, SMILES, flexibase
3.34,9.77,-20.39,1,7,0, 477.443, 4
3976476
 
#46

ChemMol: 44031517
Molport: MolPort-020-008-066
AK Scientific: Y0342
BOC Sciences BB: 211513-37-0
Capot Chemical: 22426...31 total

ref: mol2, SDF, SMILES, flexibase
7.07,2.13,-8.11,1,3,0, 389.605, 9

Similar to: 13813341, 26577033, 26578106, 38427554, 38607945, ... 9 in total.
35996961
 
#47

Molport: MolPort-035-395-697
Apexmol Building Blocks: AM808005
Chembo Pharma: KB-76209
Excenen: EX-A095
Ryan Scientific: 048-05027...11 total

ref: mol2, SDF, SMILES, flexibase
3.94,10.98,-10.18,0,4,0, 391.78, 3

Similar to: 35846919, 35901056,
13130939
 
#48

Molport: MolPort-023-277-175
AK Scientific: Y0451
Ark Pharm Building Blocks: AK162819
Chembo Pharma: KB-77588
Excenen: EX-A100...26 total

ref: mol2, SDF, SMILES, flexibase
3.78,6.7,-16.66,3,6,0, 374.322, 6

Similar to: 33822039, 33822040, 33822041, 34587631, ... 4 in total.
17970372
 
#49

eMolecules: 43048887
Molport: MolPort-000-886-262
Scientific Exchange (make on demand): R-096824
Acros Organics: 33652
AKOS: AKOS000304458...45 total

ref: mol2, SDF, SMILES, flexibase
1.10,3.35,-16.56,4,5,0, 236.3, 4

Similar to: 38808457, 38808460, 38808467, 38808488, 38808509, ... 8 in total.
3938683
 
#50

ChemMol: 97900146, 96705852
Active BioPharma: 244
AK Scientific: SYN1059, W5947
AKOS: AKOS015896067, AKOS015855518
American Custom Chemicals Corp.: HCH0316784...58 total

ref: mol2, SDF, SMILES, flexibase
3.16,-3.23,-22.12,4,6,0, 482.196, 7

Similar to: 32919271, 34323063, 34323074, 34334550, 34359387, ... 26 in total.
6745792
 
#51

ChemMol: 44027465
Molport: MolPort-016-633-305
AK Scientific: X7500, SYN1121, X7372
Apexmol Building Blocks: AM81252
Ark Pharm Building Blocks: AK-41797...61 total

ref: mol2, SDF, SMILES, flexibase
3.68,9.33,-15.15,3,11,0, 470.461, 7
lo: mol2, SDF, SMILES, flexibase
3.68,9.46,-40.06,4,11,1, 471.469, 7

Similar to: 35819784,
13983251
 
#52

ChemMol: 44024371
Molport: MolPort-023-293-529
AK Scientific: Y0369
Amadis Chemical: A846726
Boerchem Pharmatech BB: BC650553...25 total

ref: mol2, SDF, SMILES, flexibase
1.69,5.59,-19.32,3,9,0, 441.46, 6
lo: mol2, SDF, SMILES, flexibase
1.69,5.82,-42.05,4,9,1, 442.468, 6
lo: mol2, SDF, SMILES, flexibase
1.69,2.25,-38.2,4,9,1, 442.468, 6

Similar to: 38559117, 38626017, 38800383,
3797541
 
#53

ChemMol: 44012068
AK Scientific: X5008
AKOS: AKOS005146525
American Custom Chemicals Corp.: API0001345
Angene Building Blocks: AGN-PC-0O4E8V...58 total

ref: mol2, SDF, SMILES, flexibase
4.42,-0.59,-5.05,1,2,0, 349.518, 1

Similar to: 26392953, 26392956, 26392960, 26392964, 44830820, ... 8 in total.
3809191
 
#54

AK Scientific: X6144
Apexmol Building Blocks: AM84497
Ark Pharm Building Blocks: AK-92306
BePharm Building Blocks: B226820
BioSynth: W-201385...48 total

ref: mol2, SDF, SMILES, flexibase
5.13,3.14,-8.09,0,3,0, 391.555, 3

Similar to: 4172315, 44699051, 44699052, 44699053, 44830832, ... 8 in total.
27361
 
#55

ChemMol: 2101707
AK Scientific: Y0470
Anward: ANW-66442
Ark Pharm Building Blocks: AK-48153
BePharm Building Blocks: B94401...35 total

ref: mol2, SDF, SMILES, flexibase
1.16,5.6,-7.19,0,4,0, 222.269, 2

Similar to: 39021062,
43122151
 
#56

ChemMol: 97901400
Molport: MolPort-023-276-904
Active BioPharma: 2737
Chembo Pharma: KB-81467
Excenen: EX-A110...21 total

ref: mol2, SDF, SMILES, flexibase
2.32,4.65,-8.93,1,4,0, 262.696, 3
12576047
 
#57

ChemMol: 97900814
Active BioPharma: 1679
AK Scientific: SYN1113
AKOS: AKOS001314163
American Custom Chemicals Corp.: HCH0054189...37 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.02,-9.71,1,3,0, 273.235, 2

Similar to: 1204062,
33996156
 
#58

Excenen: EX-A112
Ryan Scientific: 048-04808
Ryan Scientific BB: 093-62107
Sigma Aldrich (Building Blocks): Y1521|SIGMA
ChEMBL12: CHEMBL470694...16 total

ref: mol2, SDF, SMILES, flexibase
3.64,4.86,-8.12,3,3,0, 305.377, 2
mid: mol2, SDF, SMILES, flexibase
3.64,6.12,-46.77,4,3,1, 306.385, 2

Similar to: 34041121, 34041122, 33996154,
33996154
 
#59

Chembo Pharma: KB-271971
Excenen: EX-A112
Ryan Scientific: 048-04808
Ryan Scientific BB: 093-62107
Sigma Aldrich (Building Blocks): Y1521|SIGMA...17 total

ref: mol2, SDF, SMILES, flexibase
3.64,4.86,-8.62,3,3,0, 305.377, 2
mid: mol2, SDF, SMILES, flexibase
3.64,6.06,-47.35,4,3,1, 306.385, 2

Similar to: 33996156, 34041121, 34041122,
7761
 
#60

Molport: MolPort-035-395-276, MolPort-000-003-506
AK Scientific: Y0218
Angene Building Blocks: AGN-PC-09M8YT
Chembo Pharma: KB-76408
Excenen: EX-A115...33 total

ref: mol2, SDF, SMILES, flexibase
5.40,2.17,-7.58,2,5,0, 329.407, 4

Similar to: 5931277,
2557947
 
#61

ChemMol: 97900014
Molport: MolPort-001-761-274
Active BioPharma: 50
AK Scientific: X7479
Ark Pharm Building Blocks: AK-58195...57 total

ref: mol2, SDF, SMILES, flexibase
1.92,3.02,-11.13,3,5,0, 294.31, 4

Similar to: 3928712, 34634658, 41674280, 41674469, 41677321, ... 23 in total.
2526466
 
#62

ChemMol: 97900959
Active BioPharma: 2012
Chembo Pharma: KB-208742
Excenen: EX-A120
Molport BB: MolPort-003-983-754...18 total

ref: mol2, SDF, SMILES, flexibase
3.89,7.44,-9.46,1,3,0, 251.285, 3
356680
 
#63

ChemMol: 97900613
eMolecules: 26108686
Molport: MolPort-003-983-764
Scientific Exchange (make on demand): Z-003245
Active BioPharma: 1338...32 total

ref: mol2, SDF, SMILES, flexibase
3.47,6.39,-14.87,2,5,0, 311.385, 6

Similar to: 3476275, 5736457, 7945787, 22016988, 32303365, ... 5 in total.
13684484
 
#64

Molport: MolPort-023-219-136
AK Scientific: X7615
Anward: ANW-64933
Ark Pharm Building Blocks: AK103288
BePharm Building Blocks: B234827...29 total

ref: mol2, SDF, SMILES, flexibase
2.74,8.04,-17.99,2,7,0, 425.492, 5
ref: mol2, SDF, SMILES, flexibase
2.74,8.04,-14.3,2,7,0, 425.492, 5
lo: mol2, SDF, SMILES, flexibase
2.74,8.24,-41.61,3,7,1, 426.5, 5

Similar to: 38800649,
395019
 
#65

Chembo Pharma: KB-310850
Excenen: EX-A124
NCI Plated 2007: 42834
ChEMBL12: CHEMBL563485
ChEMBL19: CHEMBL563485...12 total

ref: mol2, SDF, SMILES, flexibase
3.88,1.66,-9.38,0,3,0, 344.458, 8
3995472
 
#66

ChemMol: 97900867
Active BioPharma: 1815
BOC Sciences BB: 189224-48-4
Chembo Pharma: KB-220978
Chemstep: 59641...18 total

ref: mol2, SDF, SMILES, flexibase
2.61,6.43,-7.38,1,3,0, 214.268, 2
mid: mol2, SDF, SMILES, flexibase
2.61,6.83,-30.35,2,3,1, 215.276, 2

Similar to: 34577392, 34577393, 2575701,
2575701
 
#67

ChemMol: 97900867
Active BioPharma: 1815
BOC Sciences BB: 189224-48-4
Chembo Pharma: KB-220978
Excenen: EX-A125...14 total

ref: mol2, SDF, SMILES, flexibase
2.61,0.06,-7.27,1,3,0, 214.268, 2
mid: mol2, SDF, SMILES, flexibase
2.61,0.27,-30.92,2,3,1, 215.276, 2

Similar to: 3995472, 34577392, 34577393,
15894680
 
#68

ChemMol: 97900661
Active BioPharma: 1428
AK Scientific: X5937
AKOS: AKOS015854224
Ark Pharm Building Blocks: AK-35014...40 total

ref: mol2, SDF, SMILES, flexibase
2.81,7.33,-10.83,1,4,0, 272.311, 2

Similar to: 34219992, 34645301, 34646132, 34646133, 38513195, ... 7 in total.
96006137
 
#69

Molport: MolPort-000-006-291
AK Scientific: X7403
Apexmol Building Blocks: AM81234
Ark Pharm Building Blocks: AK-51369
Chembo Pharma: KB-309134...35 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.81,-20.65,1,4,0, 377.444, 4
18274812
 
#70

ChemMol: 97900082, 44024781, 97900058
Molport: MolPort-020-313-396, MolPort-000-006-291
Active BioPharma: 21, 156, 113
AK Scientific: SYN1074, X7403
AKOS: AKOS005145971...96 total

ref: mol2, SDF, SMILES, flexibase
3.10,8.81,-16.64,1,4,0, 377.444, 4
ref: mol2, SDF, SMILES, flexibase
3.10,8.8,-16.98,1,4,0, 377.444, 4
lo: mol2, SDF, SMILES, flexibase
3.10,9.25,-46.22,2,4,1, 378.452, 4
lo: mol2, SDF, SMILES, flexibase
3.10,9.24,-46.37,2,4,1, 378.452, 4
13815413
 
#71

ChemMol: 97901082
Molport: MolPort-023-276-446
Active BioPharma: 2255
AK Scientific: Y0479, Y0364
Chembo Pharma: KB-309137...33 total

ref: mol2, SDF, SMILES, flexibase
5.74,10.15,-10.96,2,5,0, 375.403, 5

Similar to: 36453865,
2583789
 
#72

ChemMol: 97901084
Molport: MolPort-035-395-727
Active BioPharma: 2257
Chembo Pharma: KB-299318
Excenen: EX-A136...27 total

ref: mol2, SDF, SMILES, flexibase
4.05,8.79,-7.76,1,5,0, 333.75, 4

Similar to: 34422946,
59263715
 
#73

Molport: MolPort-027-637-284
AK Scientific: X5984
Ark Pharm Building Blocks: AK120450
Bide Pharmatech BB: BD245866
Excenen: EX-A137...15 total

ref: mol2, SDF, SMILES, flexibase
3.60,7.88,-19.32,1,8,0, 478.332, 7
hi: mol2, SDF, SMILES, flexibase
4.05,5.26,-52.39,0,8,-1, 477.324, 7
lo: mol2, SDF, SMILES, flexibase
3.60,10.09,-68.29,2,8,1, 479.34, 7
6846
 
#74

ChemMol: 97900918
Active BioPharma: 1925
AK Scientific: Y0467
Cayman Chemical: 10006426
Chembo Pharma: KB-276342...22 total

ref: mol2, SDF, SMILES, flexibase
3.52,3.22,-9.98,2,3,0, 292.381, 4
89630354
 
#75

Molport: MolPort-028-600-031
AK Scientific: X5832
Ark Pharm Building Blocks: AK151416
Chembo Pharma: KB-74507
Excenen: EX-A139...15 total

ref: mol2, SDF, SMILES, flexibase
3.68,10.99,-24.19,3,8,0, 433.512, 11
603769
 
#76

ChemMol: 97900981, 30115517, 44028744
Active BioPharma: 2078
AK Scientific: X7468
Anward: ANW-60468
Apexmol Building Blocks: AM81241...60 total

ref: mol2, SDF, SMILES, flexibase
2.95,6.3,-17.08,3,7,0, 384.395, 4
ref: mol2, SDF, SMILES, flexibase
2.95,6.19,-15.41,3,7,0, 384.395, 4
lo: mol2, SDF, SMILES, flexibase
2.95,6.6,-43.13,4,7,1, 385.403, 4
lo: mol2, SDF, SMILES, flexibase
2.95,6.59,-42.84,4,7,1, 385.403, 4

Similar to: 34365224, 34390426, 34631075, 35801395, 35818968, ... 25 in total.
674444
 
#77

ChemMol: 97900910
eMolecules: 1646812
Molport: MolPort-001-530-678
Scientific Exchange (make on demand): H-083165
Active BioPharma: 1901...36 total

ref: mol2, SDF, SMILES, flexibase
3.31,8.73,-22.5,3,5,0, 369.49, 6

Similar to: 10012337,
2276110
 
#78

ChemMol: 97900451
eMolecules: 2019776
Molport: MolPort-002-181-853
Scientific Exchange (make on demand): F-050996
Active BioPharma: 944...46 total

ref: mol2, SDF, SMILES, flexibase
3.78,8.85,-14.72,0,3,0, 306.148, 2

Similar to: 42074695, 42077165, 42077190, 42077255, 42077270, ... 12 in total.
1036312
 
#79

ChemMol: 97900510
Active BioPharma: 1133
AK Scientific: Y9750
Chembo Pharma: KB-77665
Excenen: EX-A148...35 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.16,-11.98,2,7,0, 409.236, 7

Similar to: 588758,
588758
 
#80

ChemMol: 97900510
Active BioPharma: 1133
AK Scientific: Y9750
Chembo Pharma: KB-77665
Excenen: EX-A148...31 total

ref: mol2, SDF, SMILES, flexibase
2.78,6.94,-10.07,2,7,0, 409.236, 7

Similar to: 1036312, 1036313, 1036314,
1036314
 
#81

ChemMol: 97900510
Active BioPharma: 1133
AK Scientific: Y9750
Chembo Pharma: KB-77665
Excenen: EX-A148...32 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.22,-8.85,2,7,0, 409.236, 7

Similar to: 588758,
1036313
 
#82

ChemMol: 97900510
Molport: MolPort-035-395-803
Active BioPharma: 1133
AK Scientific: Y9750
Chembo Pharma: KB-77665...33 total

ref: mol2, SDF, SMILES, flexibase
2.78,7.34,-10.83,2,7,0, 409.236, 7

Similar to: 588758,
1204062
 
#83

eMolecules: 25876127
Molport: MolPort-002-117-761
Scientific Exchange: Z-082433
AKOS: AKOS000409202
American Custom Chemicals Corp.: HCH0135588...28 total

ref: mol2, SDF, SMILES, flexibase
2.35,0.72,-6.56,1,3,0, 273.235, 2

Similar to: 12576047,
3629271
 
#84

ChemMol: 44005421, 30106567, 2100031, 44006070
eMolecules: 6719178
American Custom Chemicals Corp.: API0002540
Anward: ANW-58684
Apexmol Building Blocks: AM84393...114 total

ref: mol2, SDF, SMILES, flexibase
-0.67,-2.06,-12.32,3,6,0, 247.251, 2

Similar to: 5856487, 5856488, 6524226, 11616147, 34217977, ... 11 in total.
11757505
 
#85

AK Scientific: X7612
Chembo Pharma: KB-81373
Excenen: EX-A151
Molport BB: MolPort-003-791-493
Ryan Scientific: 048-04701...27 total

ref: mol2, SDF, SMILES, flexibase
2.65,4.28,-10.17,4,6,0, 318.336, 3
59258964
 
#86

AK Scientific: X3569, SYN1167
Ark Pharm Building Blocks: AK163424
Excenen: EX-A155
Selleck Chemicals: S2783
BindingDB.org: 50429701...22 total

ref: mol2, SDF, SMILES, flexibase
3.24,10.64,-23.11,1,9,0, 462.554, 4
12353762
 
#87

ChemMol: 44031293
Molport: MolPort-016-633-249
AK Scientific: X7545
Excenen: EX-A157
BindingDB.org: 19971...26 total

ref: mol2, SDF, SMILES, flexibase
3.66,-2.67,-6.72,2,3,0, 282.339, 1

Similar to: 34030566, 34030567, 34030568, 34229922, 34229923, ... 38 in total.
3943521
 
#88

ChemMol: 44028955
Molport: MolPort-021-805-011
AK Scientific: W6233
AKOS: AKOS015919494
Anward: ANW-48289...38 total

ref: mol2, SDF, SMILES, flexibase
1.09,5.49,-16.29,2,5,0, 307.353, 2
mid: mol2, SDF, SMILES, flexibase
1.09,6,-45.13,3,5,1, 308.361, 2

Similar to: 3322,
70466439
 
#89

Molport: MolPort-016-633-311
AK Scientific: X7502
Chembo Pharma: KB-58915
Excenen: EX-A160
Molport BB: MolPort-016-633-311...19 total

ref: mol2, SDF, SMILES, flexibase
5.38,12.81,-20.97,2,8,0, 503.488, 6
40848320
 
#90

Molport: MolPort-023-293-510
AK Scientific: X7601
Ark Pharm Building Blocks: AK102598
Bide Pharmatech BB: BD234137
Chembo Pharma: KB-52811...25 total

ref: mol2, SDF, SMILES, flexibase
4.68,12.79,-10.7,1,5,0, 438.474, 4

Similar to: 34444296, 34471158, 34479881, 34587823, 38428757, ... 9 in total.
59613357
 
#91

BioSynth: Q-102505
Excenen: EX-A164
PubChem: 25001387, 25001694, 25001697, 25002023, 68991207, 68988789, 66851982, 24997279, 24997576, 24997880, 25001069, 25001388, 25001695, 25002021, 23120632, 68991051, 68988279, 66706330, 24997280, 24997577, 24997881, 25001386, 25001389, 25001696, 25002022, 68990130, 68699200, 24997278, 24997575, 24997578, 24997882
ref: mol2, SDF, SMILES, flexibase
5.92,15.46,-21.13,2,12,0, 627.746, 18
lo: mol2, SDF, SMILES, flexibase
5.92,15.88,-49.9,3,12,1, 628.754, 18
1912267
 
#92

Excenen: EX-A165
MedChem Express: HY-14267
ChEMBL DrugStore: CHEMBL571987
ChEMBL12: CHEMBL571987
ChEMBL19: CHEMBL571987...23 total

ref: mol2, SDF, SMILES, flexibase
2.46,2.22,-10.54,1,6,0, 310.357, 6

Similar to: 38441610,
16052714
 
#93

ChemMol: 97901408, 44015070, 97900241
Active BioPharma: 391, 2751
AK Scientific: X7409, Y1894, SYN1041
Anward: ANW-59256
Ark Pharm Building Blocks: AK-40872...82 total

ref: mol2, SDF, SMILES, flexibase
2.44,5.07,-19.39,1,10,0, 513.649, 5
mid: mol2, SDF, SMILES, flexibase
2.44,7.29,-60.13,2,10,1, 514.657, 5

Similar to: 34621378, 34638301, 35819470, 35821134, 35874009, ... 7 in total.
22010649
 
#94

ChemMol: 44002066
Molport: MolPort-005-933-338
AK Scientific: W6096
AKOS: AKOS005146046
Anward: ANW-48396...79 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.33,-22.79,4,5,0, 349.434, 7
mid: mol2, SDF, SMILES, flexibase
3.19,7.75,-66.77,5,5,1, 350.442, 7
hi: mol2, SDF, SMILES, flexibase
3.19,7.58,-62.39,3,5,-1, 348.426, 7

Similar to: 34949711, 36478869,
2570895
 
#95

ChemMol: 30101980, 2001102, 96708140, 44002338, 97900771
eMolecules: 901601
ACT Chemical BB: ACT02648
Active BioPharma: 1607
AKOS: AKOS015842517...265 total

ref: mol2, SDF, SMILES, flexibase
3.61,5.33,-11.94,2,5,0, 381.379, 4

Similar to: 3948753, 34232022, 34232689, 34340813, 34341012, ... 30 in total.
95725713
 
#96

Chembo Pharma: KB-310854
Excenen: EX-A179
Sigma Aldrich (Building Blocks): SML0430|SIGMA
Individual Suppliers: UNNAMED00000711
MedChem Express (Depleted): HY-13814...5 total

ref: mol2, SDF, SMILES, flexibase
0.64,1.53,-10.67,4,5,0, 223.286, 2
3818726
 
#97

ChemMol: 44020173
American Custom Chemicals Corp.: API0003555
Capot Chemical: 22405
Chembo Pharma: KB-74881
Excenen: EX-A180...32 total

ref: mol2, SDF, SMILES, flexibase
2.19,2.64,-20.95,3,6,0, 318.354, 5
hi: mol2, SDF, SMILES, flexibase
2.19,2.69,-59.56,2,6,-1, 317.346, 5
hi: mol2, SDF, SMILES, flexibase
2.19,3.91,-108.48,1,6,-2, 316.338, 5

Similar to: 34043395, 34230831, 34340664, 35817923, 35876295, ... 9 in total.
40393428
 
#98

Molport: MolPort-016-633-186
AK Scientific: X7391, SYN1081
Chembo Pharma: KB-298965
Excenen: EX-A181
Molport BB: MolPort-039-062-141...34 total

ref: mol2, SDF, SMILES, flexibase
4.24,8.72,-19.17,3,7,0, 430.946, 6
lo: mol2, SDF, SMILES, flexibase
3.86,7.24,-41.39,4,7,1, 431.954, 7
lo: mol2, SDF, SMILES, flexibase
4.24,9.18,-41.67,4,7,1, 431.954, 6
lo: mol2, SDF, SMILES, flexibase
3.86,7.46,-37.57,4,7,1, 431.954, 7
1489490
 
#99

Ark Pharm Building Blocks: AK-35592
Chembo Pharma: KB-247535
CiVentiChem: CV-5873
Element Store BB: b2star-545380-34-5
Excenen: EX-A182...18 total

ref: mol2, SDF, SMILES, flexibase
4.13,-2.3,-12.66,3,5,0, 356.429, 6
16052811
 
#100

Chembo Pharma: KB-60635
Excenen: EX-A183
KeyOrganics Bioactives: ES-0032
Sigma Aldrich (Building Blocks): S9820|SIGMA
BindingDB.org: 50341636...23 total

ref: mol2, SDF, SMILES, flexibase
3.31,8.28,-19.81,2,9,0, 568.099, 5

Similar to: 38475318,

Old detail retrieval took 2 seconds.

start 0 size 100

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 = 813 ) limit 0,100

Smiles were