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
3999826
 
#1

eMolecules: 48555819
Molport: MolPort-001-886-588
AKOS: AKOS000635258
Asinex: BAS00513845
IBScreen NP: STOCK1N-41674...45 total

ref: mol2, SDF, SMILES, flexibase
-0.60,10.56,-40.2,1,3,1, 307.417, 1

Similar to: 4245688, 4331630, 5382346, 5393593, 8582308, ... 16 in total.
4245688
 
#2

Molport: MolPort-001-886-588
AKOS: AKOS000635258
Asinex: BAS00513845
Prestwick Chemical: 680
TimTec: ST50232950...22 total

ref: mol2, SDF, SMILES, flexibase
-0.60,8.65,-40.8,1,3,1, 307.417, 1

Similar to: 5382346, 5393593, 38286209,
896918
 
#3

ChemMol: 44007195
BioSynth: W-108466
BOC Sciences BB: 120-97-8
Boerchem Pharmatech BB: BC221062
Bosche Scientific: D5551...64 total

ref: mol2, SDF, SMILES, flexibase
0.54,-4.57,-13.7,4,6,0, 305.164, 2

Similar to: 32265766,
1290
 
#4

ChemMol: 30101972, 44002332, 80101145
Molport: MolPort-001-785-868
Scientific Exchange (make on demand): F-434555
Acros Organics: 20413
AK Scientific: I027...194 total

ref: mol2, SDF, SMILES, flexibase
4.30,6.1,-5.38,2,2,0, 268.356, 4

Similar to: 56544,
4213474
 
#5

ChemMol: 44008316, 30108739, 30106819, 44005571
AK Scientific: P753
American Custom Chemicals Corp.: API0002881
APIChem: AC-1774, AC-1114
BioSynth: Q-201180...53 total

ref: mol2, SDF, SMILES, flexibase
3.14,8.53,-14.05,1,5,0, 454.966, 2

Similar to: 8035291, 11616221, 11616222, 11616223, 11616224, ... 16 in total.
1505
 
#6

ChemMol: 30102338, 44002584
eMolecules: 538661, 31410312
Molport: MolPort-020-313-387, MolPort-002-507-301
AK Scientific: P006
AKOS: AKOS004119898...200 total

ref: mol2, SDF, SMILES, flexibase
-2.16,-1.32,-22.09,5,9,0, 255.234, 5

Similar to: 3600438,
3977978
 
#7

ChemMol: 44005569, 30106816
Molport: MolPort-002-507-472
AK Scientific: K114
American Custom Chemicals Corp.: API0002731
APIChem: AC-2071...84 total

ref: mol2, SDF, SMILES, flexibase
3.27,9.57,-18.94,1,7,0, 494.531, 4

Similar to: 3977979, 4273382, 4273383, 4945860, 4945862, ... 26 in total.
4097308
 
#8

ChemMol: 44008308
AK Scientific: R212
American Custom Chemicals Corp.: API0002741
BioSynth: W-108052
Boerchem Pharmatech BB: BC226401...47 total

ref: mol2, SDF, SMILES, flexibase
2.61,5.73,-16.91,2,6,0, 436.52, 2

Similar to: 8035285, 8602519, 8602521, 8606261, 8606262, ... 20 in total.
3872521
 
#9

ChemMol: 30101606, 96700459
eMolecules: 46473674, 475361
Molport: MolPort-002-720-734, MolPort-020-002-449
AK Scientific: M384
AKOS: AKOS000121441...121 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.37,-4.64,1,2,0, 217.312, 2

Similar to: 5842671, 5842677, 5929968,
59796557
 
#10

Toronto Research Chemicals: E597502, E597500, E597520
BindingDB.org: 50390993, 50855
ChEBI: CHEBI:10276
ChEMBL12: CHEMBL1361596, CHEMBL1403281
ChEMBL19: CHEMBL1361596...26 total

ref: mol2, SDF, SMILES, flexibase
2.67,6.64,-17.97,3,10,0, 575.71, 5
hi: mol2, SDF, SMILES, flexibase
2.67,7.34,-51.62,2,10,-1, 574.702, 5
3875364
 
#11

Molport: MolPort-023-220-261
TCM Database @ Taiwan: 39086
AK Scientific: H126
American Custom Chemicals Corp.: API0002654, SHG0000904
BePharm Building Blocks: B114333...66 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.62,-6.45,1,2,0, 290.447, 0
4245685
 
#12

American Custom Chemicals Corp.: SHG0004745
FineTech: FT-0601112
Prestwick Chemical: 697, Prestw-697
ChEMBL12: CHEMBL1405827
ChEMBL19: CHEMBL1405827...14 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.79,-4.91,1,2,0, 290.447, 0

Similar to: 1041148, 1320121, 2539627, 3800039, 3824281, ... 9 in total.
4095658
 
#13

PDSP via PubChem: Prestwick_1060
PubChem: 44184005, 6420079
SureChEMBL: SCHEMBL1737844, SCHEMBL5271164
ref: mol2, SDF, SMILES, flexibase
0.16,-13.36,-16.51,7,11,0, 448.38, 4

Similar to: 38277292, 38277294, 38277296, 38277298, 42923576, ... 13 in total.
18043251
 
#14

ChemMol: 30101047, 30101964, 30107930
eMolecules: 594900, 532235
Molport: MolPort-001-737-342, MolPort-002-339-588, MolPort-027-720-662
Scientific Exchange (make on demand): K-010702
Acros Organics: 25031...533 total

ref: mol2, SDF, SMILES, flexibase
0.00,3.24,-11.33,1,6,0, 180.167, 0

Similar to: 34559404, 38252123,
2151
 
#15

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
518786
 
#16

eMolecules: 4786649
Molport: MolPort-001-683-962
AK Scientific: 1838AB
AKOS: AKOS005396712
Ark Pharm Building Blocks: AK123446...21 total

ref: mol2, SDF, SMILES, flexibase
1.74,6.33,-10.09,0,3,0, 200.241, 0

Similar to: 5948657, 32167087, 32167089, 32167091, 32167093, ... 18 in total.
8664613
 
#17

BindingDB.org: 50289095
ChEMBL12: CHEMBL163362
ChEMBL12 10uM: CHEMBL163362
ChEMBL19: CHEMBL163362
Collaborative Drug Discovery: 1582...9 total

ref: mol2, SDF, SMILES, flexibase
2.46,-0.69,-7.7,0,2,0, 186.258, 0
608359
 
#18

Chembo Pharma: KB-213476
KeyOrganics Bioactives: KS-1407
Labotest: LT00244864
Labotest Building Blocks: LT00244864
MicroSource Pharmakon: 01501000...66 total

ref: mol2, SDF, SMILES, flexibase
5.02,11.11,-11.96,0,5,0, 395.499, 10
lo: mol2, SDF, SMILES, flexibase
5.02,11.29,-41.15,1,5,1, 396.507, 10

Similar to: 5845369, 39270869, 597747, 608327, ... 4 in total.
49142
 
#19

ChemMol: 30107601
eMolecules: 511873
Molport: MolPort-001-838-192
AK Scientific: V1488, K058
Aldrich CPR: L100811|ALDRICH...78 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.58,-12.67,3,7,0, 280.309, 4
mid: mol2, SDF, SMILES, flexibase
0.38,1.25,-52.72,2,7,-1, 279.301, 4

Similar to: 5345252, 5889309, 32106291,
3831471
 
#20

MedChem Express: HY-13753
ChemDB: 3968642
Collaborative Drug Discovery: 1636, 47040
FDA-approved drugs (via DSSTOX): 1060
PDSP via PubChem: Prestwick_1047...13 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-9.18,-17.48,5,10,0, 265.222, 3

Similar to: 3977737, 3995962, 3995964, 3995966, 3995968, ... 18 in total.
13783417
 
#21

MedChem Express: HY-13753
Collaborative Drug Discovery: 1636
PDSP via PubChem: Prestwick_1047
PubChem: 6713972, 6420074
SMDC Public: 255920...8 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-9.06,-10.83,5,10,0, 265.222, 3
33943585
 
#22

Collaborative Drug Discovery: 1636
PDSP via PubChem: Prestwick_1047
PubChem: 6420074
SMDC Public: 255920
ref: mol2, SDF, SMILES, flexibase
-2.09,-9.72,-13.02,5,10,0, 265.222, 3

Similar to: 3831470, 3831471, 3831472, 3831473, 3977737, ... 9 in total.
33943586
 
#23

Collaborative Drug Discovery: 1636
PDSP via PubChem: Prestwick_1047
PubChem: 6420074
SMDC Public: 255920
ref: mol2, SDF, SMILES, flexibase
-2.09,-9.23,-11.92,5,10,0, 265.222, 3

Similar to: 3831470, 3831471, 3831472, 3831473, 3977737, ... 9 in total.
19594594
 
#24

ChemMol: 44026925, 30104666
APIChem: AC-2094
BioSynth: Q-100732
Boerchem Pharmatech BB: BC209186
Bosche Scientific: P3162...87 total

ref: mol2, SDF, SMILES, flexibase
3.64,5.8,-5.3,0,4,0, 293.407, 9

Similar to: 31977511, 31977512, 31977549,
113473
 
#25

eMolecules: 766894
Molport: MolPort-001-740-897
TCM Database @ Taiwan: tcm03_007353
AKOS: AKOS003673683
AnalytiCon Discovery NP: NP-002175...36 total

ref: mol2, SDF, SMILES, flexibase
0.02,3.13,-21.32,0,4,0, 164.164, 1

Similar to: 34382027,
3079342
 
#26

ChemMol: 44007769
Molport: MolPort-003-666-136
Acros Organics: 10824
Alfa-Aesar: L06674
Boerchem Pharmatech BB: BC224240...127 total

ref: mol2, SDF, SMILES, flexibase
-4.14,1.5,-35.46,2,4,1, 147.198, 4

Similar to: 6382231, 6424776,
3775575
 
#27

ChemMol: 30107857, 51501839, 97900284, 51501828, 44006138
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,
35532
 
#28

eMolecules: 2056269, 4775016
Molport: MolPort-002-506-899, MolPort-002-140-205
AKOS: AKOS001581089
ChemBridge: 5255762
IBScreen BuildingBlocks: BB_NC-00112...31 total

ref: mol2, SDF, SMILES, flexibase
1.50,1.97,-12.88,2,6,0, 307.346, 5

Similar to: 35533,
35533
 
#29

eMolecules: 2056269
Molport: MolPort-002-140-205
TCM Database @ Taiwan: tcm03_003110
AKOS: AKOS001581089
American Custom Chemicals Corp.: CCH0008536...23 total

ref: mol2, SDF, SMILES, flexibase
1.50,1.26,-12.88,2,6,0, 307.346, 5

Similar to: 35532,
897236
 
#30

BioSynth: Q-201861
MedChem Express: HY-B0235
MicroSource Pharmakon: 01500590
MicroSource US Drugs: 01500590
Prestwick Chemical: Prestw-825...41 total

ref: mol2, SDF, SMILES, flexibase
1.11,-3.72,-17.55,4,7,0, 380.662, 2
mid: mol2, SDF, SMILES, flexibase
1.11,-4.23,-39.73,3,7,-1, 379.654, 2

Similar to: 34337302, 34337304,
897234
 
#31

BioSynth: Q-201861
MedChem Express: HY-B0235
MicroSource Pharmakon: 01500590
MicroSource US Drugs: 01500590
Prestwick Chemical: Prestw-825...42 total

ref: mol2, SDF, SMILES, flexibase
1.11,-3.71,-17.79,4,7,0, 380.662, 2
mid: mol2, SDF, SMILES, flexibase
1.11,-4.11,-42.69,3,7,-1, 379.654, 2

Similar to: 34337302, 34337304,
3861806
 
#32

ChemMol: 44002002, 30101274
eMolecules: 531049
TCM Database @ Taiwan: tcm03_006957
Acros Organics: 22841
Aldrich CPR: S284386|ALDRICH...174 total

ref: mol2, SDF, SMILES, flexibase
1.32,4.95,-16.81,1,8,0, 414.41, 4

Similar to: 4098919, 4098920, 4475321, 11682059, 16969582, ... 13 in total.
622264
 
#33

Acros Organics: 44030
AK Scientific: 2090AB
Apollo Scientific Bioactives: BIP4355
Ark Pharm Building Blocks: AK114464
BePharm Building Blocks: B149234...74 total

ref: mol2, SDF, SMILES, flexibase
-3.00,13.2,-76.08,4,4,2, 414.597, 7

Similar to: 5162586, 31520340, 33753239, 34025355, ... 4 in total.
2105
 
#34

ChemMol: 30100687
eMolecules: 511929
Scientific Exchange (make on demand): Z-049557
AK Scientific: H460
AKOS: AKOS000121424...133 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.08,-12.74,3,5,0, 249.295, 3
hi: mol2, SDF, SMILES, flexibase
0.88,1.62,-51.8,2,5,-1, 248.287, 3
57494
 
#35

ChemMol: 1201530, 30105131, 44004432, 98000567
eMolecules: 474320
Scientific Exchange (make on demand): POD_10/0459
Acros Organics: 19930
AK Scientific: O349...167 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.5,-13.79,3,6,0, 278.337, 3
mid: mol2, SDF, SMILES, flexibase
0.84,3.2,-57.09,2,6,-1, 277.329, 3

Similar to: 37053918, 37053919, 38602477,
3874951
 
#36

MicroSource Pharmakon: 01503422
MicroSource US Drugs: 01503422
NCI Plated 2007: 95441
Sigma Aldrich (Building Blocks): S4026|SIGMA
Tetrahedron Building Blocks: TS62504...38 total

ref: mol2, SDF, SMILES, flexibase
2.74,4.71,-3.89,1,5,0, 247.726, 4

Similar to: 5085344, 31561689,
17835656
 
#37

Ark Pharm Building Blocks: AK134941
MicroSource Pharmakon: 01501159
MicroSource World Drugs: 01501159
Prestwick Chemical: Prestw-641
Synchem UG and Co KG: un344...35 total

ref: mol2, SDF, SMILES, flexibase
1.47,4.57,-28.66,1,5,0, 287.344, 3

Similar to: 39376162, 7997905,
7997905
 
#38

Ark Pharm Building Blocks: AK134941
MicroSource Pharmakon: 01501159
MicroSource World Drugs: 01501159
Prestwick Chemical: Prestw-641
Synchem UG and Co KG: un344...34 total

ref: mol2, SDF, SMILES, flexibase
1.47,4.57,-23.43,1,5,0, 287.344, 3

Similar to: 17835656, 39376162,
11616152
 
#39

ChEMBL12: CHEMBL1617799, CHEMBL1328824
ChEMBL19: CHEMBL1617799, CHEMBL1328824
Collaborative Drug Discovery: 1719
PDSP via PubChem: Prestwick_1011
PubChem: 54690274...15 total

ref: mol2, SDF, SMILES, flexibase
3.93,-6.23,-26.4,6,13,0, 612.632, 9

Similar to: 11616153, 11616154, 14879999, 42835553, 43543961, ... 11 in total.
57367
 
#40

ChemMol: 44006235, 30108065, 44004256, 30104795
Molport: MolPort-006-115-506
AK Scientific: M592, I619
APIChem: AC-15649, AC-20496
Ark Pharm Building Blocks: AK115818...63 total

ref: mol2, SDF, SMILES, flexibase
2.52,6.39,-14.54,1,4,0, 245.326, 3
mid: mol2, SDF, SMILES, flexibase
2.52,6.25,-38.15,2,4,1, 246.334, 3

Similar to: 4212269, 32264660, 33808014,
119983
 
#41

AfroDb Natural Products: NA_0034, BMC_00064, WA_0023, BMC_000104
ChemMol: 44001969, 30101481
eMolecules: 1935773, 734433
Molport: MolPort-001-740-277
TCM Database @ Taiwan: 29198...248 total

ref: mol2, SDF, SMILES, flexibase
1.37,-4.94,-11.51,5,6,0, 290.271, 1

Similar to: 4214953, 14436215, 34331254, 34331255, 34331256, ... 13 in total.
3830387
 
#42

eMolecules: 535644
BioSynth: W-108025
Chembo Pharma: KB-216399
IBScreen Bioactives: Bio-0118
MicroSource Pharmakon: 01503110...45 total

ref: mol2, SDF, SMILES, flexibase
1.67,2.01,-5.18,1,5,0, 214.052, 5

Similar to: 4934781, 4934784, 4934785, 4958274, ... 4 in total.
1571009
 
#43

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,
1530937
 
#44

ChemMol: 30102986, 44002987
eMolecules: 476478
Molport: MolPort-001-790-585
Scientific Exchange (make on demand): X-048284
Acorn PharmaTech: ACN-S002284...77 total

ref: mol2, SDF, SMILES, flexibase
2.62,5.51,-6.62,2,3,0, 193.246, 5

Similar to: 37093120, 38223456, 39235411, 39235412, ... 4 in total.
601301
 
#45

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
 
#46

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,
12358719
 
#47

ChemMol: 30113594, 44002074, 30106272, 44005252
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,
3938744
 
#48

ChemMol: 30109392
Molport: MolPort-002-530-411
American Custom Chemicals Corp.: API0001601
APIChem: AC-2159
Ark Pharm Building Blocks: AK163195...155 total

ref: mol2, SDF, SMILES, flexibase
4.49,12.76,-16.85,1,7,0, 521.05, 8

Similar to: 8035406, 8789850, 11592769, 11592770, 22049777, ... 36 in total.
2572650
 
#49

Apollo Scientific (Depleted): BIA2545
BindingDB.org: 50093503
Collaborative Drug Discovery: 1665
PDSP via PubChem: Prestwick_983
PubChem: 6552084...10 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-11.2,-16.03,5,9,0, 267.245, 2
lo: mol2, SDF, SMILES, flexibase
-0.85,-11.06,-33.64,6,9,1, 268.253, 2
lo: mol2, SDF, SMILES, flexibase
-0.85,-11.05,-39.55,6,9,1, 268.253, 2

Similar to: 3201876, 3201878, 5941250, 8580514, 34425125, ... 9 in total.
8580514
 
#50

Alfa-Aesar: A10781
Anward: ANW-43794, ANW-46947
Bosche Scientific: A3204
J&K Chemical: A01255294
Ryan Scientific BB: 074-61025...62 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-10.54,-14.87,5,9,0, 267.245, 2
lo: mol2, SDF, SMILES, flexibase
-0.85,-10.4,-39.56,6,9,1, 268.253, 2
lo: mol2, SDF, SMILES, flexibase
-0.85,-10.4,-39.96,6,9,1, 268.253, 2

Similar to: 34639855, 38540203, 3978049, 3978048, 3978047, ... 13 in total.
3831050
 
#51

Acros Organics: 22697, 10261
Alfa-Aesar: L06848
Anward: ANW-41597
Apollo Scientific Bioactives: BIA1090
BioSynth: Q-200716...96 total

ref: mol2, SDF, SMILES, flexibase
-3.20,7.02,-33.28,0,3,1, 160.237, 4
3831051
 
#52

Acros Organics: 10261, 22697
Alfa-Aesar: L06848
Anward: ANW-41597
Apollo Scientific Bioactives: BIA1090
BioSynth: Q-200716...98 total

ref: mol2, SDF, SMILES, flexibase
-3.20,7.01,-33.25,0,3,1, 160.237, 4
3872170
 
#53

ChemMol: 97900423, 83601530
Molport: MolPort-001-739-477
Scientific Exchange (make on demand): F-393926
Acros Organics: 35742
Active BioPharma: 875...143 total

ref: mol2, SDF, SMILES, flexibase
0.76,3.22,-17,2,5,0, 281.352, 3

Similar to: 4073970, 4536598, 8579261, 11592912, 11592913, ... 11 in total.
4245670
 
#54

Prestwick Chemical: 866
Collaborative Drug Discovery: 1746
PDSP via PubChem: Prestwick_972
PubChem: 68219036, 6420049
SMDC Public: 255974...7 total

ref: mol2, SDF, SMILES, flexibase
-2.34,-11.18,-23.61,5,9,0, 244.207, 2

Similar to: 11592974, 17061587, 17061589, 34649830, 36469916, ... 14 in total.
3815424
 
#55

ChemMol: 30102932
eMolecules: 4787123
Molport: MolPort-002-510-889
AK Scientific: H072
Aldrich CPR: R188018|ALDRICH...86 total

ref: mol2, SDF, SMILES, flexibase
4.20,8,-5.58,1,2,0, 310.437, 1

Similar to: 4026437, 4026438, 4026439, 4369800, 4369801, ... 22 in total.
19796031
 
#56

ChemMol: 97900508, 44022465, 30116014
eMolecules: 902670
Active BioPharma: 1120
Alinda Building Blocks: ALBB-022444
Amadis Chemical: A846459...100 total

ref: mol2, SDF, SMILES, flexibase
4.12,10.38,-9.37,0,4,0, 350.462, 4

Similar to: 31351589, 31494242, 31544239, 33755493, 33854434, ... 11 in total.
19418974
 
#57

ChemMol: 97900429, 30107877, 80101203
Molport: MolPort-001-728-166
Scientific Exchange (make on demand): F-393778
TCM Database @ Taiwan: 42946, tcm03_006148
Active BioPharma: 904...168 total

ref: mol2, SDF, SMILES, flexibase
2.82,5.92,-13.73,0,8,0, 413.426, 4

Similar to: 31543965, 39036165, 4098220,
1546844
 
#58

ChemMol: 44003982, 30107525, 2100098
Molport: MolPort-005-935-306
AKOS: AKOS015894948
Anward: ANW-44918
APIChem: AC-1133...70 total

ref: mol2, SDF, SMILES, flexibase
3.83,10.68,-11.25,1,5,0, 385.485, 11

Similar to: 34426523, 34426524, 34480469, 34625355, 34625357, ... 6 in total.
1546843
 
#59

ChemMol: 30107525, 2100098, 44003982
Molport: MolPort-005-935-306
AKOS: AKOS015894948
Anward: ANW-44918
APIChem: AC-1133...64 total

ref: mol2, SDF, SMILES, flexibase
3.83,10.91,-9.5,1,5,0, 385.485, 11

Similar to: 1546844, 34426523, 34426524, 34480469, 34625355, ... 6 in total.
49154
 
#60

ChemMol: 44007000, 44003635, 30108643, 30101836, 44002241, 30103941
eMolecules: 593675, 513510, 10469423
Molport: MolPort-005-970-692, MolPort-002-137-856
TCM Database @ Taiwan: tcm03_007165
Acros Organics: 15077...354 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-4.67,-9.01,3,4,0, 169.18, 2
mid: mol2, SDF, SMILES, flexibase
-0.55,-4.25,-28.78,4,4,1, 170.188, 2
hi: mol2, SDF, SMILES, flexibase
-0.55,-3.9,-45.3,2,4,-1, 168.172, 2
lo: mol2, SDF, SMILES, flexibase
-0.55,-3.49,-23.81,3,4,0, 169.18, 2

Similar to: 32208574, 39240007, 39385911,
3938677
 
#61

ChemMol: 44009256, 30108354, 2100056
Molport: MolPort-003-849-257, MolPort-003-666-654
AKOS: AKOS015994732
American Custom Chemicals Corp.: API0003420
APIChem: AC-941...134 total

ref: mol2, SDF, SMILES, flexibase
4.27,12.02,-15.24,1,6,0, 521.437, 5

Similar to: 8035393, 8674096, 8674097, 8674098, 11592773, ... 20 in total.
4245666
 
#62

Prestwick Chemical: 222, Prestw-222
Collaborative Drug Discovery: 1217
PDSP via PubChem: Prestwick_922
PubChem: 6420045
ref: mol2, SDF, SMILES, flexibase
5.42,11.08,-22.52,3,11,0, 548.633, 12
hi: mol2, SDF, SMILES, flexibase
5.42,12.09,-60.81,2,11,-1, 547.625, 12

Similar to: 5224254, 8681557, 8681558, 8681559, 8681560, ... 13 in total.
5224254
 
#63

Prestwick Chemical: Prestw-222
Sigma Aldrich (Building Blocks): A8674|SIGMA
BindingDB.org: 50191588
Biocyc via PubChem: CPD-5744
ChEBI: CHEBI:22584...19 total

ref: mol2, SDF, SMILES, flexibase
5.42,3.47,-21.82,3,11,0, 548.633, 12

Similar to: 31483227, 31483230, 31483233, 31483236, 31545434, ... 8 in total.
2041380
 
#64

Acros Organics: 38802
Aldrich CPR: R278084|ALDRICH
MicroSource Pharmakon: 01503933
MicroSource US Drugs: 01503933
Prestwick Chemical: Prestw-188...52 total

ref: mol2, SDF, SMILES, flexibase
-5.00,12.95,-75.66,0,2,2, 240.435, 6
266
 
#65

ChemMol: 83601362
eMolecules: 533220
Molport: MolPort-001-791-638
Scientific Exchange (make on demand): F-137872
AKOS: AKOS003382844...49 total

ref: mol2, SDF, SMILES, flexibase
1.00,3.4,-10.48,1,4,0, 223.272, 4
39092
 
#66

ChemMol: 1201825, 30113665
eMolecules: 766232
Molport: MolPort-001-741-418
TCM Database @ Taiwan: 29158
AKOS: AKOS015995360...104 total

ref: mol2, SDF, SMILES, flexibase
1.94,0.86,-11.8,3,6,0, 302.282, 2
hi: mol2, SDF, SMILES, flexibase
1.94,1.86,-52.85,2,6,-1, 301.274, 2

Similar to: 58116, 58117, 1081534, 1081535, 1559232, ... 17 in total.
18099446
 
#67

ChemMol: 44002001, 30113602
AK Scientific: H539
American Custom Chemicals Corp.: API0002201
APIChem: AC-8116
BioSynth: W-106228...85 total

ref: mol2, SDF, SMILES, flexibase
-0.13,-0.85,-14.04,3,7,0, 182.187, 3
ref: mol2, SDF, SMILES, flexibase
-0.13,-0.87,-19.56,3,7,0, 182.187, 3
ref: mol2, SDF, SMILES, flexibase
-0.13,0.15,-14,3,7,0, 182.187, 3
mid: mol2, SDF, SMILES, flexibase
-0.92,-3.57,-44.97,2,7,-1, 181.179, 3
mid: mol2, SDF, SMILES, flexibase
-0.92,-3.12,-22.5,3,7,0, 182.187, 3
mid: mol2, SDF, SMILES, flexibase
-0.92,-3.58,-44.91,2,7,-1, 181.179, 3
lo: mol2, SDF, SMILES, flexibase
-0.13,0.66,-24,4,7,0, 183.195, 3
25757829
 
#68

Molport: MolPort-035-395-721
BOC Sciences BB: 121917-57-5
Chembo Pharma: KB-78877
Molport BB: MolPort-003-958-626
Prestwick Chemical: Prestw-109...87 total

ref: mol2, SDF, SMILES, flexibase
3.48,6.6,-4.25,1,1,0, 221.303, 0

Similar to: 26011425, 34586834, 6661384, 1482044, 1854016, ... 5 in total.
18055768
 
#69

ChemMol: 30106241
AK Scientific: O389
APIChem: AC-18055
BOC Sciences BB: 14679-73-3
Labotest: LT00772379...50 total

ref: mol2, SDF, SMILES, flexibase
1.51,3.84,-11.75,2,6,0, 232.243, 4

Similar to: 39028055,
2539285
 
#70

Anward: ANW-14391
Prestwick Chemical: Prestw-615, 615
TCI: C2214
Tetrahedron Building Blocks: TS29214
Tractus: TRA0002279...16 total

ref: mol2, SDF, SMILES, flexibase
3.99,9.38,-8.51,0,2,0, 258.276, 0

Similar to: 38276017, 38417464, 39028234,
8614810
 
#71

eMolecules: 534214
Scientific Exchange (make on demand): F-137841
Acros Organics: 10338
AK Scientific: 8905AB, 9267AB
AKOS: AKOS001063493...82 total

ref: mol2, SDF, SMILES, flexibase
1.99,0.02,-6.7,2,3,0, 168.583, 0
538440
 
#72

Acros Organics: 45545
Chembo Pharma: KB-61580
IBScreen Bioactives: Bio-0957
MedChem Express: HY-B0479
MicroSource Pharmakon: 01503136...62 total

ref: mol2, SDF, SMILES, flexibase
-0.36,-7.65,-16.88,3,6,0, 356.227, 6

Similar to: 608059, 1605333, 1605334,
3814419
 
#73

eMolecules: 4775667
Molport: MolPort-002-509-542
Scientific Exchange (make on demand): F-446319
American Custom Chemicals Corp.: API0003629, API0003628
APIChem: AC-11100...93 total

ref: mol2, SDF, SMILES, flexibase
3.07,8.05,-6.86,1,2,0, 298.426, 0

Similar to: 4820551, 5736162, 5736163, 5752387, 16968675, ... 10 in total.
1718
 
#74

Ark Pharm Building Blocks: AK129831
Chembo Pharma: KB-249210
MedChem Express: HY-B0908
MicroSource Pharmakon: 01506077
MicroSource World Drugs: 01506077...30 total

ref: mol2, SDF, SMILES, flexibase
0.80,-1.25,-23.43,2,5,0, 275.351, 1
934
 
#75

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
4492886
 
#76

eMolecules: 4826672
TCM Database @ Taiwan: tcm03_006641
AK Scientific: V0355
American Custom Chemicals Corp.: INB0000298
Ark Pharm Building Blocks: AK114992...53 total

ref: mol2, SDF, SMILES, flexibase
2.09,6.85,-12.29,0,3,0, 248.322, 0

Similar to: 5125148, 5831746, 5836583, 7997351, 12341708, ... 14 in total.
59860223
 
#77

Collaborative Drug Discovery: 1474
PDSP via PubChem: Prestwick_876
PubChem: 11972532
ref: mol2, SDF, SMILES, flexibase
2.09,6.4,-12.81,0,3,0, 248.322, 0
4214436
 
#78

Prestwick Chemical: 539
ChEMBL DrugStore: CHEMBL1705373
ChEMBL12: CHEMBL1705373
ChEMBL19: CHEMBL1705373
Chembo Pharma (Depleted): KB-300550...11 total

ref: mol2, SDF, SMILES, flexibase
-0.16,-9.54,-21.4,5,11,0, 563.625, 7

Similar to: 4245665,
4245665
 
#79

BioSynth: Q-201824
Prestwick Chemical: 539, Prestw-539
Toronto Research Chemicals: T344387, T344385
BindingDB.org: 50194197
ChEMBL DrugStore: CHEMBL1705373...26 total

ref: mol2, SDF, SMILES, flexibase
-0.16,-0.56,-30.95,5,11,0, 563.625, 7

Similar to: 4214436,
3812874
 
#80

ChemMol: 44002536
eMolecules: 499095
Molport: MolPort-000-839-314
Scientific Exchange (make on demand): Z-007777
AK Scientific: K282...90 total

ref: mol2, SDF, SMILES, flexibase
-1.20,-0.34,-14.81,2,4,0, 142.158, 2
18117797
 
#81

ChemMol: 44002303
American Custom Chemicals Corp.: API0003419
APIChem: AC-7473
BioSynth: W-107222
MedChem Express: HY-B1069...39 total

ref: mol2, SDF, SMILES, flexibase
-3.50,0.71,-35.18,1,8,1, 243.243, 4
ref: mol2, SDF, SMILES, flexibase
-2.94,0.47,-13.37,1,8,0, 243.243, 4
hi: mol2, SDF, SMILES, flexibase
-4.09,-1.97,-24.47,0,8,0, 242.235, 4

Similar to: 36478575,
602
 
#82

ChemMol: 44016492
Scientific Exchange (make on demand): Z-077727
Acros Organics: 21659
AKOS: AKOS000370201
Alfa-Aesar: A11200...122 total

ref: mol2, SDF, SMILES, flexibase
1.59,3.6,-9.37,1,3,0, 179.219, 3

Similar to: 43465143,
3861150
 
#83

ChemMol: 30102509, 44002676
Molport: MolPort-002-506-906, MolPort-002-522-274
Acros Organics: 16442
American Custom Chemicals Corp.: API0003926
APIChem: AC-12806...110 total

ref: mol2, SDF, SMILES, flexibase
3.99,8.24,-6.49,1,2,0, 316.485, 1

Similar to: 32206970, 32206974, 32206978, 32206982, 34589033, ... 8 in total.
19632633
 
#84

ChemMol: 30106749
AKOS: AKOS005166822
American Custom Chemicals Corp.: API0009080, API0004151
APIChem: AC-18759
BePharm Building Blocks: B151001...142 total

ref: mol2, SDF, SMILES, flexibase
2.64,6.48,-3.01,0,1,0, 187.286, 4

Similar to: 22056030, 34873319, 34873320,
3872520
 
#85

ChemMol: 30103288
AK Scientific: M381
Angene Building Blocks: AGN-PC-0508PR
Anward: ANW-42028
APIChem: AC-13715...82 total

ref: mol2, SDF, SMILES, flexibase
1.46,3.39,-12.08,2,2,0, 166.249, 2
lo: mol2, SDF, SMILES, flexibase
1.46,3.72,-44.66,3,2,1, 167.257, 2

Similar to: 33846098,
3938751
 
#86

ChemMol: 30111605, 44008127
Molport: MolPort-003-986-909, MolPort-002-529-265
AK Scientific: H040, X1051
AKOS: AKOS015969655
American Custom Chemicals Corp.: SHG0000199...240 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.66,-13.25,2,6,0, 430.541, 4

Similar to: 3952322, 3977887, 3977888, 3977889, 3977890, ... 45 in total.
4097286
 
#87

ChemMol: 30111605, 44008127
Molport: MolPort-002-529-265
AK Scientific: H040
AKOS: AKOS015969655
American Custom Chemicals Corp.: SHG0000199...174 total

ref: mol2, SDF, SMILES, flexibase
3.19,6.66,-12.84,2,6,0, 430.541, 4

Similar to: 3830334, 3830335, 3830336, 3830337, 3938751, ... 9 in total.
3812841
 
#88

ChemMol: 30102048, 97602700, 44002393, 80101350, 30103502
eMolecules: 591670
Molport: MolPort-023-220-339
AK Scientific: K287
AKOS: AKOS005267139...236 total

ref: mol2, SDF, SMILES, flexibase
4.35,11.28,-12.84,1,5,0, 404.547, 7

Similar to: 3925241, 3984042, 3990542, 3990543, 3996028, ... 47 in total.
8143788
 
#89

TCM Database @ Taiwan: tcm03_000635, 33645
BioSynth: Q-200651
IBScreen Bioactives: Bio-0301
MicroSource Pharmakon: 01503042
MicroSource World Drugs: 01503042...61 total

ref: mol2, SDF, SMILES, flexibase
3.32,-0.99,-12.65,0,5,0, 282.336, 0

Similar to: 8681831, 8830681, 8830682, 8830683, 43273680, ... 37 in total.
1530710
 
#90

Alfa-Aesar: B24362
BOC Sciences BB: 127-48-0
Chembo Pharma: KB-28442
MicroSource Pharmakon: 01505466
MicroSource US Drugs: 01505466...49 total

ref: mol2, SDF, SMILES, flexibase
0.18,1.94,-6.15,0,4,0, 143.142, 0
73711
 
#91

ChemMol: 30100131
eMolecules: 510269
Scientific Exchange (make on demand): X-074877
AKOS: AKOS000120940
Alinda: IBS-L0127380...209 total

ref: mol2, SDF, SMILES, flexibase
2.35,4.04,-9.14,1,3,0, 201.254, 1
4640636
 
#92

ChemMol: 44011668, 30100748
eMolecules: 711437, 511717
Molport: MolPort-004-414-251
Acros Organics: SB00664
AKOS: AKOS001053246...134 total

ref: mol2, SDF, SMILES, flexibase
0.96,3.46,-11.41,2,3,0, 170.237, 2
hi: mol2, SDF, SMILES, flexibase
1.42,2.37,-35.28,1,3,-1, 169.229, 2

Similar to: 33753637,
19632610
 
#93

ChemMol: 44002251, 30116679, 97900051, 30101853
eMolecules: 538533, 11021182
Active BioPharma: 102
AK Scientific: K235
AKOS: AKOS015891545...92 total

ref: mol2, SDF, SMILES, flexibase
4.05,9.51,-34.29,0,5,-1, 383.251, 5

Similar to: 22057516, 22057521, 31490672, 31490674, 31771858, ... 22 in total.
19802035
 
#94

ChemMol: 30116679, 30101853, 97900051, 44002251
eMolecules: 538533
Active BioPharma: 102
AK Scientific: K235
AKOS: AKOS015891545...83 total

ref: mol2, SDF, SMILES, flexibase
4.05,9.51,-34.69,0,5,-1, 383.251, 5

Similar to: 22057516, 22057521, 31490672, 31490674, 31771858, ... 26 in total.
1091
 
#95

ChemMol: 30100267, 44000369
AK Scientific: H765
AKOS: AKOS001647527
Aldrich CPR: CDS000349|ALDRICH
Alfa-Aesar: L08218...70 total

ref: mol2, SDF, SMILES, flexibase
0.27,6.16,-22.06,0,4,0, 186.236, 2
36378574
 
#96

American Custom Chemicals Corp.: API0009111, API0000413
Ark Pharm Building Blocks: AK129722
FineTech: FT-0602883
MedChem Express: HY-B1149A, HY-B1149
Prestwick Chemical: Prestw-416...82 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.49,-16.35,3,10,0, 465.528, 10

Similar to: 1531001, 1999399, 3871629, 3871630, 3871631, ... 9 in total.
36378575
 
#97

American Custom Chemicals Corp.: API0009111, API0000413
Ark Pharm Building Blocks: AK129722
FineTech: FT-0602883
MedChem Express: HY-B1149, HY-B1149A
Prestwick Chemical: Prestw-416...76 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.5,-16.35,3,10,0, 465.528, 10

Similar to: 1531001, 1999399, 3871629, 3871630, 3871631, ... 9 in total.
8672949
 
#98

Collaborative Drug Discovery: 1293
PDSP via PubChem: Prestwick_774
PubChem: 6420012, 6420011
SMDC Public: 255693
ref: mol2, SDF, SMILES, flexibase
2.01,5.82,-17.67,3,7,0, 387.48, 8
lo: mol2, SDF, SMILES, flexibase
2.01,6.29,-43.7,4,7,0, 388.488, 8

Similar to: 8664610,
8664610
 
#99

Collaborative Drug Discovery: 1293
PDSP via PubChem: Prestwick_774
PubChem: 6420012, 6420011
SMDC Public: 255693
ref: mol2, SDF, SMILES, flexibase
2.01,-2.95,-17.64,3,7,0, 387.48, 8

Similar to: 8672949,
27980293
 
#100

Prestwick Chemical: Prestw-406
BindingDB.org: 50280619
ChEMBL12: CHEMBL168972, CHEMBL1435558
ChEMBL12 10uM: CHEMBL168972
ChEMBL19: CHEMBL168972...18 total

ref: mol2, SDF, SMILES, flexibase
3.02,5.61,-10.41,1,5,0, 324.428, 4
lo: mol2, SDF, SMILES, flexibase
3.02,8.05,-101.94,3,5,2, 326.444, 4

Similar to: 34620180, 38238228, 9585,

Old detail retrieval took 1 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 = 626 ) limit 0,100

Smiles were