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
2015928
 
#1

ChemMol: 30112325, 44005619
Molport: MolPort-003-844-371
AK Scientific: V2105
American Custom Chemicals Corp.: API0010038
APIChem: AC-6112...219 total

ref: mol2, SDF, SMILES, flexibase
1.22,5.36,-10.23,4,7,0, 286.339, 4
lo: mol2, SDF, SMILES, flexibase
1.22,5.75,-28.77,5,7,1, 287.347, 4

Similar to: 6380547, 6385372, 6437625, 6481930, 6585219, ... 8 in total.
2015927
 
#2

Bosche Scientific: A6975
MicroSource Pharmakon: 01502410
MicroSource US Drugs: 01502410
Tractus: TRA0022458
BindingDB.org: 50128947...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,5.28,-10.07,4,7,0, 286.339, 4

Similar to: 6380547, 6385372, 6437625, 6481930, 6585219, ... 8 in total.
861
 
#3

eMolecules: 741071
Molport: MolPort-001-895-486
Scientific Exchange (make on demand): POD_36/0423
AKOS: AKOS001662412
Aldrich CPR: S994529|ALDRICH...31 total

ref: mol2, SDF, SMILES, flexibase
1.22,3.04,-20.08,2,6,0, 332.381, 4

Similar to: 189385, 1676342,
18274777
 
#4

ChemMol: 30117015, 1202927, 44002554, 98000234
eMolecules: 474380
Acros Organics: 10233
ACT Chemical BB: ACT06727
AK Scientific: H865...300 total

ref: mol2, SDF, SMILES, flexibase
0.68,0.54,-10.06,2,3,0, 151.165, 1
3813042
 
#5

ChemMol: 30102485
eMolecules: 534436
Scientific Exchange (make on demand): Z-033238
AK Scientific: H501
AKOS: AKOS000715163...156 total

ref: mol2, SDF, SMILES, flexibase
-1.15,-4.36,-19.16,3,7,0, 222.251, 2
mid: mol2, SDF, SMILES, flexibase
-1.15,-3.88,-51.46,2,7,-1, 221.243, 2

Similar to: 3927785, 4217364, 5160002, 32218284, ... 4 in total.
4658603
 
#6

ChemMol: 83600678, 97800491
eMolecules: 474394
Acorn PharmaTech: ACN-S002461
Acros Organics: 17013
Alfa-Aesar: L01569...140 total

ref: mol2, SDF, SMILES, flexibase
-0.86,-1.54,-12.98,2,3,0, 75.067, 0
3079336
 
#7

ChemMol: 80101152
Scientific Exchange (make on demand): F-434646
TCM Database @ Taiwan: tcm03_000101
Acros Organics: 15917, 40018
AK Scientific: X7331...235 total

ref: mol2, SDF, SMILES, flexibase
-3.56,6.42,-34.1,0,3,1, 146.21, 4
1530555
 
#8

Amidohydrolase AH-EFI: Acycloguanosine
ChemMol: 44001411, 97900312, 30100952
eMolecules: 29702921, 768732, 901331
Molport: MolPort-020-179-977, MolPort-001-889-834, MolPort-023-220-218
Acros Organics: 44524...295 total

ref: mol2, SDF, SMILES, flexibase
-1.61,-0.6,-19.69,4,8,0, 225.208, 4

Similar to: 1533112, 5854843, 6119299, 6578365, 6585462, ... 8 in total.
882
 
#9

Amidohydrolase AH-EFI: Adenine
ChemMol: 96700838, 30103320, 96700496, 30111040, 44001390, 1032197, 96700516, 42303016, 30102591, 30111039, 44022092, 30113463, 30100934
eMolecules: 30079506, 474936
L99A/M102Q non-binders: ADENINE-SULPHATE-DIH
Molport: MolPort-003-925-179...610 total

ref: mol2, SDF, SMILES, flexibase
0.24,2.02,-9.53,3,5,0, 135.13, 0
2169830
 
#10

Amidohydrolase AH-EFI: Adenosine
ChemMol: 30113523, 97900271, 44011665, 1032190
Acros Organics: 16404
Active BioPharma: 469
AK Scientific: X5028...590 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-4.39,-15.03,5,9,0, 267.245, 2

Similar to: 2572650, 3201876, 3201878, 3830179, 3978047, ... 13 in total.
34781660
 
#11

ChemMol: 44000027, 30100025
eMolecules: 741340
Molport: MolPort-001-785-703
Scientific Exchange (make on demand): F-278684
AK Scientific: Q759...79 total

ref: mol2, SDF, SMILES, flexibase
0.28,-1.96,-11.03,3,4,0, 181.191, 3
hi: mol2, SDF, SMILES, flexibase
0.28,-1.03,-43.78,2,4,-1, 180.183, 3

Similar to: 2576822,
15449289
 
#12

MicroSource Pharmakon: 01505125
MicroSource US Drugs: 01505125
MicroSource Spectrum: 01505125
PubChem: 51546388, 16667717, 18502772
SMDC Pharmakon: 735633...9 total

ref: mol2, SDF, SMILES, flexibase
4.52,12.1,-15.92,1,7,0, 521.05, 8

Similar to: 32130664, 32130666, 32130668, 36378486, ... 13 in total.
15449288
 
#13

MicroSource Pharmakon: 01505125
MicroSource US Drugs: 01505125
MicroSource Spectrum: 01505125
PubChem: 51546387, 16667717, 18502772
SMDC Pharmakon: 735633...9 total

ref: mol2, SDF, SMILES, flexibase
4.52,12.28,-17.57,1,7,0, 521.05, 8

Similar to: 32130664, 32130666, 32130668, 36378486, ... 13 in total.
36378486
 
#14

MicroSource Pharmakon: 01505125
MicroSource US Drugs: 01505125
MicroSource Spectrum: 01505125
PubChem: 51722976
SMDC Pharmakon: 735633...7 total

ref: mol2, SDF, SMILES, flexibase
4.52,12.98,-17.1,1,7,0, 521.05, 8

Similar to: 4245690, 8035403, 8681619, 8681620, 8681621, ... 9 in total.
8035403
 
#15

MicroSource Pharmakon: 01505125
MicroSource US Drugs: 01505125
MicroSource Spectrum: 01505125
PubChem: 51431930
SMDC Pharmakon: 735633...7 total

ref: mol2, SDF, SMILES, flexibase
4.52,13.57,-21.14,1,7,0, 521.05, 8

Similar to: 8035405, 8681619, 8681620, 8681621, 8681622, ... 26 in total.
15449338
 
#16

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
AK Scientific (Depleted): 69483
ChEMBL12: CHEMBL13648...11 total

ref: mol2, SDF, SMILES, flexibase
5.06,13.39,-10.56,0,4,0, 448.603, 2

Similar to: 607700, 3830648, 3830649, 3830650, 3830651, ... 9 in total.
15449337
 
#17

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
AK Scientific (Depleted): 69483
ChEMBL12: CHEMBL13648...9 total

ref: mol2, SDF, SMILES, flexibase
5.06,12.05,-8.91,0,4,0, 448.603, 2

Similar to: 607700, 3830648, 3830649, 3830650, 3830651, ... 9 in total.
39741206
 
#18

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
Ryan Scientific BB: 079-58192
AK Scientific (Depleted): 69483...10 total

ref: mol2, SDF, SMILES, flexibase
5.06,13.26,-10.21,0,4,0, 448.603, 2

Similar to: 8552617, 8552616, 8552615, 8552614, 4172334, ... 9 in total.
39741209
 
#19

MicroSource Pharmakon: 01505720
MicroSource US Drugs: 01505720
Molport BB: MolPort-003-666-850
AK Scientific (Depleted): 69483
ChEMBL12: CHEMBL13648...9 total

ref: mol2, SDF, SMILES, flexibase
5.06,13.29,-8.77,0,4,0, 448.603, 2

Similar to: 8552617, 8552616, 8552615, 8552614, 4172334, ... 9 in total.
1843029
 
#20

ChemMol: 30100954
eMolecules: 476195
Molport: MolPort-001-779-876
Acros Organics: 10284
AK Scientific: H736...227 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-7.26,-11.05,5,7,0, 158.117, 1
mid: mol2, SDF, SMILES, flexibase
-1.85,-9.89,-40.26,4,7,-1, 157.109, 1
mid: mol2, SDF, SMILES, flexibase
-2.41,-9.78,-20.83,4,7,0, 157.109, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-13.65,-13.6,5,7,0, 158.117, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-12.06,-35.62,6,7,1, 159.125, 1
1843030
 
#21

ChemMol: 30100954
eMolecules: 476195
Molport: MolPort-001-779-876
TCM Database @ Taiwan: 27277, tcm03_000296
UEFS Natural Products: uefs-286...223 total

ref: mol2, SDF, SMILES, flexibase
-2.03,-7.26,-11.03,5,7,0, 158.117, 1
mid: mol2, SDF, SMILES, flexibase
-1.85,-9.89,-40.27,4,7,-1, 157.109, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-12.09,-35.58,6,7,1, 159.125, 1
hi: mol2, SDF, SMILES, flexibase
-2.78,-13.67,-13.57,5,7,0, 158.117, 1
13298313
 
#22

ChemMol: 44001989, 44014472, 30109947, 30101501, 97801470
eMolecules: 534646, 832881
Molport: MolPort-000-870-337, MolPort-016-633-253
Acros Organics: 12183
ACT Chemical BB: ACT02732...237 total

ref: mol2, SDF, SMILES, flexibase
-0.53,0.97,-12.87,2,5,0, 136.114, 0
mid: mol2, SDF, SMILES, flexibase
-0.08,-1.12,-39.12,1,5,-1, 135.106, 0
mid: mol2, SDF, SMILES, flexibase
-0.08,-0.99,-43.93,1,5,-1, 135.106, 0
3871492
 
#23

ChemMol: 30100511
eMolecules: 4775191, 492301
Molport: MolPort-002-507-059
TCM Database @ Taiwan: 29128
Acros Organics: 42103...80 total

ref: mol2, SDF, SMILES, flexibase
9.04,15.88,-4.71,1,2,0, 430.717, 12

Similar to: 4095858, 5765114, 5765115, 5921400, 9213625, ... 49 in total.
2083220
 
#24

ChemMol: 30100511
eMolecules: 492301
TCM Database @ Taiwan: tcm03_008915
Acros Organics: 42812, 42103
Alfa-Aesar: A17039...73 total

ref: mol2, SDF, SMILES, flexibase
9.04,15.94,-4.65,1,2,0, 430.717, 12

Similar to: 4095858, 5765114, 5765115, 5921400, 9213625, ... 52 in total.
3871493
 
#25

ChemMol: 30100511
eMolecules: 492301
Acros Organics: 42812, 42103
Alfa-Aesar: A17039
Angene Building Blocks: AGN-PC-0UATH6...69 total

ref: mol2, SDF, SMILES, flexibase
9.04,15.87,-4.66,1,2,0, 430.717, 12

Similar to: 4095858, 5765114, 5765115, 5921400, 9213625, ... 53 in total.
3871494
 
#26

ChemMol: 30100511
eMolecules: 492301
Acros Organics: 42812, 42103
Alfa-Aesar: A17039
Angene Building Blocks: AGN-PC-0UATH6...65 total

ref: mol2, SDF, SMILES, flexibase
9.04,15.93,-4.75,1,2,0, 430.717, 12

Similar to: 4095858, 5765114, 5765115, 5921400, 9213625, ... 53 in total.
3871495
 
#27

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-52225-20-4, b2star-58-95-7, b2star-7695-91-2
FineTech: FT-0624407
Labotest: LT00441285...36 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.84,-8.46,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 68 in total.
3871496
 
#28

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-58-95-7, b2star-7695-91-2, b2star-52225-20-4
FineTech: FT-0624407
Labotest: LT00441285...38 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.81,-8.63,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 73 in total.
3871497
 
#29

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-7695-91-2, b2star-52225-20-4, b2star-58-95-7
FineTech: FT-0624407
Labotest: LT00441285...37 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.83,-8.59,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 65 in total.
3871498
 
#30

Aldrich CPR: PH000041|ALDRICH
Alfa-Aesar: A14505
Element Store BB: b2star-52225-20-4, b2star-58-95-7, b2star-7695-91-2
FineTech: FT-0624407, FT-0625431
Labotest: LT00441285...40 total

ref: mol2, SDF, SMILES, flexibase
8.96,19.8,-8.64,0,3,0, 472.754, 14

Similar to: 4172337, 11616507, 11616508, 32191354, 32191356, ... 65 in total.
2037170
 
#31

Chembo Pharma: KB-199317
Element Store BB: b2star-5588-16-9
MicroSource Pharmakon: 01500804
MicroSource US Drugs: 01500804
Prestwick Chemical: Prestw-721...32 total

ref: mol2, SDF, SMILES, flexibase
1.10,-2.27,-17.08,4,7,0, 383.904, 5
hi: mol2, SDF, SMILES, flexibase
1.10,-2.56,-44.98,3,7,-1, 382.896, 5
2037169
 
#32

Chembo Pharma: KB-199317
Element Store BB: b2star-5588-16-9
MicroSource Pharmakon: 01500804
MicroSource US Drugs: 01500804
Prestwick Chemical: Prestw-721...30 total

ref: mol2, SDF, SMILES, flexibase
1.10,-2.26,-17.43,4,7,0, 383.904, 5
hi: mol2, SDF, SMILES, flexibase
1.10,-2.57,-45.41,3,7,-1, 382.896, 5
11677097
 
#33

ChemMol: 44006062, 30107676
APIChem: AC-023
Boerchem Pharmatech BB: BC216004
MicroSource Pharmakon: 01505703
MicroSource US Drugs: 01505703...12 total

ref: mol2, SDF, SMILES, flexibase
3.62,0.32,-8.26,1,2,0, 310.437, 2

Similar to: 1727, 2205, 1481965, 3814359, 3814420, ... 9 in total.
4214784
 
#34

ChemMol: 30107676, 44006062
American Custom Chemicals Corp.: API0000374
APIChem: AC-023
BioSynth: Q-101420
Boerchem Pharmatech BB: BC216004...33 total

ref: mol2, SDF, SMILES, flexibase
3.62,8.8,-8.13,1,2,0, 310.437, 2

Similar to: 4655076, 4655077, 4655081, 4655082, 4655083, ... 29 in total.
15449348
 
#35

MicroSource Pharmakon: 01505703
MicroSource US Drugs: 01505703
MicroSource Spectrum: 01505703
PubChem: 51546402, 45006157
ref: mol2, SDF, SMILES, flexibase
3.62,8.6,-8.08,1,2,0, 310.437, 2

Similar to: 34032263, 34032264, 5762172, 1727, 2205, ... 12 in total.
15449349
 
#36

MicroSource Pharmakon: 01505703
MicroSource US Drugs: 01505703
MicroSource Spectrum: 01505703
PubChem: 51546403, 45006157
ref: mol2, SDF, SMILES, flexibase
3.62,8.83,-7.89,1,2,0, 310.437, 2

Similar to: 1727, 2205, 1481965, 3814359, 3814420, ... 9 in total.
905
 
#37

ChemMol: 30101821, 44002230
eMolecules: 520050
AKOS: AKOS001729401
APIChem: AC-12006
BioBlocks: A0567/0026158...123 total

ref: mol2, SDF, SMILES, flexibase
2.18,11.48,-8.91,0,6,0, 210.285, 3
mid: mol2, SDF, SMILES, flexibase
2.18,11.58,-23.57,1,6,1, 211.293, 3

Similar to: 1900, 1446096, 1584938, 1708611, 1708612, ... 6 in total.
3977775
 
#38

MicroSource Pharmakon: 01503816
MicroSource US Drugs: 01503816
AKOS BB (make-on-demand): AKOS015896503
Collaborative Drug Discovery: 15196, 1355421
Leadscope via PubChem: LS-118421...19 total

ref: mol2, SDF, SMILES, flexibase
3.92,10.46,-13.67,1,7,0, 502.579, 4

Similar to: 3977776, 3977777, 3977778, 11616257, 11616258, ... 19 in total.
3977776
 
#39

MicroSource Pharmakon: 01503816
MicroSource US Drugs: 01503816
Collaborative Drug Discovery: 15196
MicroSource Spectrum: 01503816
PubChem: 58363068...12 total

ref: mol2, SDF, SMILES, flexibase
3.92,11.06,-12.16,1,7,0, 502.579, 4

Similar to: 3977777, 3977778, 11616257, 11616258, 11616259, ... 19 in total.
3977777
 
#40

ChemMol: 30102840, 44002893
AK Scientific: X1044
American Custom Chemicals Corp.: SHG0000088
APIChem: AC-13190
Bosche Scientific: A2295...60 total

ref: mol2, SDF, SMILES, flexibase
3.92,10.82,-16.69,1,7,0, 502.579, 4

Similar to: 3977778, 11616257, 11616258, 11616259, 11616260, ... 19 in total.
3977778
 
#41

MicroSource Pharmakon: 01503816
MicroSource US Drugs: 01503816
Collaborative Drug Discovery: 15196
MicroSource Spectrum: 01503816
PubChem: 40469420...10 total

ref: mol2, SDF, SMILES, flexibase
3.92,10.68,-16.79,1,7,0, 502.579, 4

Similar to: 11616257, 11616258, 11616259, 11616260, 13718668, ... 23 in total.
1530856
 
#42

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...104 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.19,-10.22,3,4,0, 232.283, 2

Similar to: 3642235, 5923953, 5954857, 28767186, 28767188, ... 8 in total.
1530855
 
#43

ChemMol: 30102214
AK Scientific: H801
AKOS: AKOS004120070
APIChem: AC-12456
Bachem: Q-1020...100 total

ref: mol2, SDF, SMILES, flexibase
0.76,2.15,-10.17,3,4,0, 232.283, 2

Similar to: 1530856, 3642235, 5923953, 5954857, 39270288, ... 6 in total.
13512582
 
#44

ChemMol: 30109483, 44004603, 44009075, 30109207, 44014474
Molport: MolPort-005-943-609
AK Scientific: H825
American Custom Chemicals Corp.: CHM0147754, API0001465
APIChem: AC-080...77 total

ref: mol2, SDF, SMILES, flexibase
5.49,10.26,-2.76,0,2,0, 317.517, 6
mid: mol2, SDF, SMILES, flexibase
5.49,12.27,-36.52,1,2,1, 318.525, 6

Similar to: 31495243, 31495247, 31495249, 32250461, 34233888, ... 18 in total.
13512584
 
#45

ChemMol: 30109483, 44009075, 30109207, 44004603, 44014474
Molport: MolPort-005-943-609
AK Scientific: H825
American Custom Chemicals Corp.: API0001465, CHM0147754
APIChem: AC-080...78 total

ref: mol2, SDF, SMILES, flexibase
5.49,10.25,-2.81,0,2,0, 317.517, 6
mid: mol2, SDF, SMILES, flexibase
5.49,12.27,-36.5,1,2,1, 318.525, 6

Similar to: 31495243, 31495247, 31495249, 32250461, 34233888, ... 18 in total.
934
 
#46

ChemMol: 30103265
eMolecules: 1985496
Molport: MolPort-019-692-089
AK Scientific: H153
APIChem: AC-13690...84 total

ref: mol2, SDF, SMILES, flexibase
-2.86,6.65,-31.15,2,4,1, 243.334, 4
mid: mol2, SDF, SMILES, flexibase
-2.86,7.2,-87.24,3,4,2, 244.342, 4
936
 
#47

MicroSource Pharmakon: 01505850
MicroSource US Drugs: 01505850
Ryan Scientific BB: 048-18045
ChEMBL DrugStore: CHEMBL2110770
ChEMBL19: CHEMBL2110770...24 total

ref: mol2, SDF, SMILES, flexibase
0.46,-0.13,-5.91,0,3,0, 123.159, 1
941
 
#48

ChemMol: 44001931, 30102648, 97900677
eMolecules: 901391
Active BioPharma: 1457
AK Scientific: H093
AKOS: AKOS015894980...133 total

ref: mol2, SDF, SMILES, flexibase
2.85,11.46,-17.13,0,5,0, 293.374, 4

Similar to: 44699428, 44699430,
967630
 
#49

eMolecules: 206843938
Molport: MolPort-002-507-189
TCM Database @ Taiwan: tcm03_000455, 25833, tcm03_005452
Acros Organics: 15253
AK Scientific: X8716...133 total

ref: mol2, SDF, SMILES, flexibase
3.10,5.76,-3.57,0,1,0, 148.205, 2

Similar to: 3632937, 34617699, 38221594,
15951
 
#50

ChemMol: 97900487, 44004257, 30104797
Molport: MolPort-002-348-163
Active BioPharma: 1065
AK Scientific: K231
AKOS: AKOS005066313...74 total

ref: mol2, SDF, SMILES, flexibase
0.69,5.63,-19.04,0,4,0, 219.24, 2

Similar to: 25050177, 25068729, 25070490, 25073354, 25088219, ... 9 in total.
1322
 
#51

ChemMol: 30104167, 44003786, 30101897
Molport: MolPort-001-792-502
AK Scientific: W6468
AKOS: AKOS015856460
Alfa-Aesar: B20303...103 total

ref: mol2, SDF, SMILES, flexibase
3.38,4.79,-13.99,2,3,0, 226.231, 0
ref: mol2, SDF, SMILES, flexibase
3.48,2.85,-10.96,3,3,0, 226.231, 0
hi: mol2, SDF, SMILES, flexibase
3.48,3.96,-43.55,2,3,-1, 225.223, 0
hi: mol2, SDF, SMILES, flexibase
3.38,5.78,-64.1,1,3,-1, 225.223, 0
61044
 
#52

Acros Organics: 10497
AK Scientific: H725, L980
AKOS: AKOS000588788
Alfa-Aesar: A11089
American Custom Chemicals Corp.: ATB0014393...170 total

ref: mol2, SDF, SMILES, flexibase
1.40,5.88,-16.84,0,3,0, 188.23, 1

Similar to: 33829239,
3831139
 
#53

ChemMol: 44003992, 30104427, 2100102
AKOS: AKOS004118314
Apexmol Building Blocks: AM20060710
APIChem: AC-1382
BePharm Building Blocks: B140228...127 total

ref: mol2, SDF, SMILES, flexibase
1.22,4.58,-19.45,2,3,0, 273.357, 5

Similar to: 19367, 6156,
6156
 
#54

ChemMol: 30104427, 44003992, 2100102
AKOS: AKOS004118314
American Custom Chemicals Corp.: API0000100
Apexmol Building Blocks: AM20060710
APIChem: AC-1382...132 total

ref: mol2, SDF, SMILES, flexibase
1.22,4.11,-17.73,2,3,0, 273.357, 5

Similar to: 3831139,
43427402
 
#55

MicroSource Pharmakon: 01505032
MicroSource US Drugs: 01505032
Toronto Research Chemicals: A777410, A777412
Individual Suppliers: UNNAMED00000083, UNNAMED00000002
Leadscope via PubChem: LS-176935...11 total

ref: mol2, SDF, SMILES, flexibase
3.40,5.87,-6.03,0,5,0, 298.379, 1

Similar to: 43427404, 43532457, 43532460, 43543815, 43693363, ... 25 in total.
14263142
 
#56

KeyOrganics Bioactives: KS-5314
MedChem Express: HY-N0402
MicroSource Pharmakon: 01505032
MicroSource US Drugs: 01505032
Sigma Aldrich (Building Blocks): A9361|SIGMA...39 total

ref: mol2, SDF, SMILES, flexibase
3.40,5.25,-6.37,0,5,0, 298.379, 1

Similar to: 38141493, 38158632, 38158633, 42764281, 43328116, ... 17 in total.
973
 
#57

ChemMol: 30107623, 44006043
Acorn PharmaTech: ACN-S002307
AKOS: AKOS015838120
Anward: ANW-35885
APIChem: AC-1682...99 total

ref: mol2, SDF, SMILES, flexibase
4.64,11.75,-17.04,0,3,0, 310.393, 6
hi: mol2, SDF, SMILES, flexibase
5.83,10.59,-55.53,0,3,-1, 309.385, 5
36385313
 
#58

MicroSource Pharmakon: 01503102
MicroSource US Drugs: 01503102
Vesino Industrial Co Ltd: VA10364
ChEMBL12: CHEMBL1598618, CHEMBL1625790
ChEMBL19: CHEMBL1598618...24 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.48,-19.63,3,10,0, 465.528, 10

Similar to: 1531001,
36385314
 
#59

MicroSource Pharmakon: 01503102
MicroSource US Drugs: 01503102
Vesino Industrial Co Ltd: VA10364
ChEMBL12: CHEMBL1598618, CHEMBL1625790
ChEMBL19: CHEMBL1598618...24 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.47,-19.89,3,10,0, 465.528, 10

Similar to: 1531001,
36385315
 
#60

MicroSource Pharmakon: 01503102
MicroSource US Drugs: 01503102
Vesino Industrial Co Ltd: VA10364
ChEMBL12: CHEMBL1598618, CHEMBL1625790
ChEMBL19: CHEMBL1598618...24 total

ref: mol2, SDF, SMILES, flexibase
1.76,6.18,-19.3,3,10,0, 465.528, 10

Similar to: 1531001,
36385316
 
#61

MicroSource Pharmakon: 01503102
MicroSource US Drugs: 01503102
Vesino Industrial Co Ltd: VA10364
ChEMBL12: CHEMBL1598618, CHEMBL1625790
ChEMBL19: CHEMBL1598618...24 total

ref: mol2, SDF, SMILES, flexibase
1.76,6.1,-17.18,3,10,0, 465.528, 10
3871663
 
#62

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...23 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.58,-15.75,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 29 in total.
3871664
 
#63

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...26 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.84,-19.07,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 24 in total.
3871665
 
#64

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...23 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.89,-15.45,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 25 in total.
3871666
 
#65

AK Scientific: I962
Lab Seeker Building Blocks: SC-19283
Labotest: LT03335525
MicroSource Pharmakon: 01500136
MicroSource US Drugs: 01500136...26 total

ref: mol2, SDF, SMILES, flexibase
4.49,11.84,-18.44,1,7,0, 521.05, 8

Similar to: 3938744, 22049777, 26255038, 26255044, 26255050, ... 25 in total.
11677890
 
#66

MicroSource Pharmakon: 01503863
MicroSource US Drugs: 01503863
ChEMBL DrugStore: CHEMBL2104956
ChEMBL19: CHEMBL2104956
Collaborative Drug Discovery: 1354255...14 total

ref: mol2, SDF, SMILES, flexibase
9.53,0.28,-10.85,2,8,0, 627.826, 18
11677894
 
#67

MicroSource Pharmakon: 01503863
MicroSource US Drugs: 01503863
ChEMBL DrugStore: CHEMBL2104956
ChEMBL19: CHEMBL2104956
Collaborative Drug Discovery: 1354255...12 total

ref: mol2, SDF, SMILES, flexibase
9.53,0.11,-10.96,2,8,0, 627.826, 18
11677901
 
#68

MicroSource Pharmakon: 01503863
MicroSource US Drugs: 01503863
ChEMBL DrugStore: CHEMBL2104956
ChEMBL19: CHEMBL2104956
Collaborative Drug Discovery: 1354255...14 total

ref: mol2, SDF, SMILES, flexibase
9.53,0.49,-10.75,2,8,0, 627.826, 18
601301
 
#69

Element Store BB: b2star-73-48-3
KeyOrganics Bioactives: HS-0095
Labotest: LT00771796
MicroSource Pharmakon: 01503104
MicroSource US Drugs: 01503104...74 total

ref: mol2, SDF, SMILES, flexibase
1.95,-0.44,-18.45,4,7,0, 421.422, 4
mid: mol2, SDF, SMILES, flexibase
1.95,-0.92,-44.66,3,7,-1, 420.414, 4

Similar to: 897222,
897222
 
#70

Element Store BB: b2star-73-48-3
KeyOrganics Bioactives: HS-0095
Labotest: LT00771796
MicroSource Pharmakon: 01503104
MicroSource US Drugs: 01503104...80 total

ref: mol2, SDF, SMILES, flexibase
1.95,-0.45,-18.74,4,7,0, 421.422, 4
mid: mol2, SDF, SMILES, flexibase
1.95,-0.86,-44.53,3,7,-1, 420.414, 4

Similar to: 601301,
1008
 
#71

eMolecules: 33507649
Molport: MolPort-003-666-673
Life Chemicals: F1923-0191
Life Chemicals Building Blocks: F1923-0191
Mcule: MCULE-5613535757...24 total

ref: mol2, SDF, SMILES, flexibase
0.60,0.55,-12.7,3,5,0, 228.635, 3
hi: mol2, SDF, SMILES, flexibase
0.60,1.76,-48.31,2,5,-1, 227.627, 3
8214735
 
#72

MicroSource Pharmakon: 01503610
MicroSource US Drugs: 01503610
ChEMBL DrugStore: CHEMBL1187417
ChEMBL12: CHEMBL1187417, CHEMBL502109
ChEMBL19: CHEMBL1187417...20 total

ref: mol2, SDF, SMILES, flexibase
3.94,5.08,-31.77,0,1,1, 318.569, 14

Similar to: 14233334, 20072559, 20486608, 34571536, 34577341, ... 13 in total.
1571009
 
#73

ChemMol: 44009576
eMolecules: 44240040, 515815
Molport: MolPort-023-310-178, MolPort-001-794-650
Acros Organics: 10538
AK Scientific: M019...155 total

ref: mol2, SDF, SMILES, flexibase
2.66,15.86,-33.55,0,3,1, 412.638, 12

Similar to: 38453236, 38453237,
12358719
 
#74

ChemMol: 44002074, 30106272, 44005252, 30113594
eMolecules: 476470
Scientific Exchange (make on demand): R-091033, POD_18/0924
Acorn PharmaTech: ACN-S002294
Acros Organics: 15078...198 total

ref: mol2, SDF, SMILES, flexibase
1.56,3.93,-6.96,2,3,0, 165.192, 3

Similar to: 34347629, 39244401, 5161840,
3830276
 
#75

MicroSource Pharmakon: 01503864
MicroSource US Drugs: 01503864
Prestwick Chemical: Prestw-12
Toronto Research Chemicals: B204502
ChEBI: CHEBI:3032...31 total

ref: mol2, SDF, SMILES, flexibase
1.57,9.04,-20.46,1,12,0, 603.75, 33
1015
 
#76

eMolecules: 729460
Molport: MolPort-001-014-301
Scientific Exchange (make on demand): POD_48/0251
AKOS: AKOS000733274
Aldrich CPR: PH011230|ALDRICH...43 total

ref: mol2, SDF, SMILES, flexibase
3.76,9.13,-14.82,0,3,0, 249.269, 3

Similar to: 112519, 44717442, 53159981, 66602817, ... 4 in total.
1016
 
#77

Glutathione Transferrase GST-EFI: Benzoyl, Benzoyl_Peroxide
Acros Organics: 21178
Alfa-Aesar: L13174
MicroSource Pharmakon: 01503004
MicroSource US Drugs: 01503004...90 total

ref: mol2, SDF, SMILES, flexibase
3.88,2.98,-10.38,0,4,0, 242.23, 5
1021
 
#78

ChemMol: 30105816
eMolecules: 479707
TCM Database @ Taiwan: tcm03_000853, 25684
Acros Organics: 10586
AKOS: AKOS003495939...161 total

ref: mol2, SDF, SMILES, flexibase
3.70,9.11,-6.44,0,2,0, 212.248, 4
1023
 
#79

AKOS: AKOS001483586
MicroSource Pharmakon: 01505778
MicroSource US Drugs: 01505778
NCI Plated 2007: 131401
Prestwick Chemical: Prestw-936...54 total

ref: mol2, SDF, SMILES, flexibase
-0.36,11.45,-35.06,0,2,1, 256.369, 6

Similar to: 394142, 1605505, 1998623, 43458042, ... 4 in total.
6845076
 
#80

ChemMol: 44003999, 30104435
TCM Database @ Taiwan: 26186, 34611
AK Scientific: H982
American Custom Chemicals Corp.: VIT0000023
APIChem: AC-1869...111 total

ref: mol2, SDF, SMILES, flexibase
9.84,25.65,-2.78,0,0,0, 536.888, 10

Similar to: 31976594, 31976691, 33836527, 38526939, 38526940, ... 6 in total.
3978043
 
#81

MicroSource Pharmakon: 01500144
MicroSource US Drugs: 01500144
ChEMBL12: CHEMBL1610678, CHEMBL1377507
ChEMBL19: CHEMBL1610678, CHEMBL1377507
Collaborative Drug Discovery: 14133...19 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.53,-15.8,3,5,0, 392.467, 2

Similar to: 3876094, 3876093, 3876092, 3875332, 3830288, ... 9 in total.
3876136
 
#82

Apollo Scientific: PC6107
Bosche Scientific: B4898
Combi-Blocks: QA-0291
KeyOrganics Bioactives: KS-5302
MedChem Express: HY-13570A...182 total

ref: mol2, SDF, SMILES, flexibase
2.06,3.57,-15.1,3,5,0, 392.467, 2

Similar to: 5735960, 39282415, 39282416, 39282417, 39282418, ... 5 in total.
3978044
 
#83

MicroSource Pharmakon: 01500144
MicroSource US Drugs: 01500144
ChEMBL12: CHEMBL1610678
ChEMBL19: CHEMBL1610678
Collaborative Drug Discovery: 14133...12 total

ref: mol2, SDF, SMILES, flexibase
2.06,-2.29,-13.51,3,5,0, 392.467, 2

Similar to: 3876094, 3876093, 3876092, 3875332, 3830288, ... 9 in total.
3978045
 
#84

MicroSource Pharmakon: 01500144
MicroSource US Drugs: 01500144
ChEMBL12: CHEMBL1610678
ChEMBL19: CHEMBL1610678
Collaborative Drug Discovery: 14133...13 total

ref: mol2, SDF, SMILES, flexibase
2.06,-2.84,-13.16,3,5,0, 392.467, 2

Similar to: 3876094, 3876093, 3876092, 3875332, 3830288, ... 9 in total.
3830308
 
#85

Molport: MolPort-000-837-431
Element Store BB: b2star-5593-20-4, b2star-1332-09-8
Mcule: MCULE-9093329990
MicroSource Pharmakon: 01503210
MicroSource US Drugs: 01503210...35 total

ref: mol2, SDF, SMILES, flexibase
4.18,11.59,-18.38,1,7,0, 504.595, 8

Similar to: 11616420, 11616421, 11616422, 11616423, 39349355, ... 8 in total.
4164566
 
#86

MicroSource Pharmakon: 01503210
MicroSource US Drugs: 01503210
Molport BB: MolPort-003-666-787
AK Scientific (Depleted): 67708
Collaborative Drug Discovery: 15552...14 total

ref: mol2, SDF, SMILES, flexibase
4.18,11.9,-16.24,1,7,0, 504.595, 8

Similar to: 31477091, 31477095, 34385820, 34385821, 34385822, ... 15 in total.
4164578
 
#87

ChemMol: 30101085, 44001567
APIChem: AC-2161
Boerchem Pharmatech BB: BC201846
FineTech: FT-0603675
KeyOrganics Bioactives: SS-4471...31 total

ref: mol2, SDF, SMILES, flexibase
4.18,12.14,-15.62,1,7,0, 504.595, 8

Similar to: 35565019, 36387180, 40441888, 40441889, 40441890, ... 9 in total.
4164588
 
#88

ChemMol: 44001567, 30101085
APIChem: AC-2161
Boerchem Pharmatech BB: BC201846
FineTech: FT-0603675
KeyOrganics Bioactives: SS-4471...27 total

ref: mol2, SDF, SMILES, flexibase
4.18,12.66,-15.48,1,7,0, 504.595, 8

Similar to: 35565019, 36387180, 40441888, 40441889, 40441890, ... 9 in total.
15449351
 
#89

MicroSource Pharmakon: 01505723
MicroSource US Drugs: 01505723
MicroSource Spectrum: 01505723
PubChem: 45006158, 51546404
SMDC Pharmakon: 756851...6 total

ref: mol2, SDF, SMILES, flexibase
2.76,7.4,-15.15,2,6,0, 434.504, 4

Similar to: 36372414, 36372415, 36384920, 36384921, 36384922, ... 9 in total.
4212130
 
#90

AK Scientific: Q073
BioSynth: W-100067
Bosche Scientific: B6432
MicroSource Pharmakon: 01505723
MicroSource US Drugs: 01505723...35 total

ref: mol2, SDF, SMILES, flexibase
2.76,0.99,-15.55,2,6,0, 434.504, 4

Similar to: 3930560, 3830289, 3830290, 3830291, 3830292, ... 10 in total.
15449353
 
#91

MicroSource Pharmakon: 01505723
MicroSource US Drugs: 01505723
MicroSource Spectrum: 01505723
PubChem: 45006158, 51546405
SMDC Pharmakon: 756851...6 total

ref: mol2, SDF, SMILES, flexibase
2.76,7.57,-13.07,2,6,0, 434.504, 4

Similar to: 36372414, 36372415, 36384920, 36384921, 36384922, ... 9 in total.
15449354
 
#92

BioSynth: W-100067
MicroSource Pharmakon: 01505723
MicroSource US Drugs: 01505723
Leadscope via PubChem: LS-178387
MicroSource Spectrum: 01505723...9 total

ref: mol2, SDF, SMILES, flexibase
2.76,6.99,-13.2,2,6,0, 434.504, 4

Similar to: 36372414, 36372415, 36384920, 36384921, 36384922, ... 9 in total.
3978039
 
#93

ChemMol: 30106815, 44005568
Aldrich CPR: R201294|ALDRICH
APIChem: AC-2163
Boerchem Pharmatech BB: BC214759
MicroSource Pharmakon: 01500145...27 total

ref: mol2, SDF, SMILES, flexibase
4.18,9.07,-17.34,2,6,0, 476.585, 7

Similar to: 21991726, 35566795, 35566797, 36384905, 36384906, ... 10 in total.
3978040
 
#94

ChemMol: 30106815, 44005568
Aldrich CPR: R201294|ALDRICH
APIChem: AC-2163
Boerchem Pharmatech BB: BC214759
MicroSource Pharmakon: 01500145...26 total

ref: mol2, SDF, SMILES, flexibase
4.18,9.54,-16.16,2,6,0, 476.585, 7

Similar to: 21991726, 35566795, 35566797, 36384905, 36384906, ... 9 in total.
3978041
 
#95

MicroSource Pharmakon: 01500145
MicroSource US Drugs: 01500145
Collaborative Drug Discovery: 15036
MicroSource Spectrum: 01500145
PubChem: 6710678...10 total

ref: mol2, SDF, SMILES, flexibase
4.18,8.51,-18.5,2,6,0, 476.585, 7

Similar to: 21991726, 35566795, 35566797, 36384905, 36384906, ... 9 in total.
3978042
 
#96

MicroSource Pharmakon: 01500145
MicroSource US Drugs: 01500145
Collaborative Drug Discovery: 15036
MicroSource Spectrum: 01500145
PubChem: 6710678...10 total

ref: mol2, SDF, SMILES, flexibase
4.18,8.61,-18.36,2,6,0, 476.585, 7

Similar to: 21991726, 35566795, 35566797, 36384905, 36384906, ... 9 in total.
83
 
#97

ChemMol: 44002291
eMolecules: 2724744
Molport: MolPort-003-666-134
AK Scientific: I014
BOC Sciences BB: 111244-96-3...81 total

ref: mol2, SDF, SMILES, flexibase
-4.01,2.07,-34.67,2,4,1, 161.225, 4

Similar to: 3830314,
3830314
 
#98

ChemMol: 44002291
eMolecules: 2724744
Molport: MolPort-003-666-134
AK Scientific: I014
Boerchem Pharmatech BB: BC204056...82 total

ref: mol2, SDF, SMILES, flexibase
-4.01,2.05,-34.72,2,4,1, 161.225, 4

Similar to: 39017623, 83,
897408
 
#99

ChemMol: 30101941, 44002311, 97900772
Molport: MolPort-003-845-034, MolPort-027-564-887
Acorn PharmaTech: ACN-S001716
Active BioPharma: 1611
AKOS: AKOS015895073...137 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.04,-16.77,2,6,0, 430.379, 6

Similar to: 38733215, 538564,
538564
 
#100

ChemMol: 30101941, 97900772, 44002311
eMolecules: 3715698
Molport: MolPort-027-564-887, MolPort-003-845-034
Acorn PharmaTech: ACN-S001716
Active BioPharma: 1611...162 total

ref: mol2, SDF, SMILES, flexibase
2.15,4.05,-16.95,2,6,0, 430.379, 6

Similar to: 897408, 38733215,

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 = 610 ) limit 0,100

Smiles were