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
1571020
 
#1

ChemMol: 97804500, 30103009, 96700289, 1201438, 44003005, 83601820, 1033288
eMolecules: 481796
Acros Organics: 16265
AKOS: AKOS000280292
Alfa-Aesar: A15131...100 total

ref: mol2, SDF, SMILES, flexibase
1.81,2.77,-5.75,0,2,0, 148.98, 0
2390334
 
#2

ChemMol: 83600961, 1203129, 44007964
Acros Organics: 29567
ACT Chemical BB: ACT09195
AKOS: AKOS008901246
Alfa-Aesar: L11274...70 total

ref: mol2, SDF, SMILES, flexibase
0.53,3.82,-7.29,0,1,0, 103.124, 0
lo: mol2, SDF, SMILES, flexibase
0.53,4.11,-28.71,1,1,1, 104.132, 0

Similar to: 8436751, 39048910, 39048985, 39049364, 39050090, ... 6 in total.
8294948
 
#3

ChemMol: 51500703, 97801589, 44001736, 1203155, 96700992, 30101317
eMolecules: 528454
Acorn PharmaTech: ACN-S003139, ACN-S001520
Acros Organics: 43668
ACT Chemical BB: ACT04814...93 total

ref: mol2, SDF, SMILES, flexibase
0.40,1.22,-4.94,2,2,0, 108.144, 0
mid: mol2, SDF, SMILES, flexibase
0.40,1.48,-26.51,3,2,1, 109.152, 0

Similar to: 39051712,
2169157
 
#4

ChemMol: 1032499, 30111377, 44003110, 83602959, 1201349
eMolecules: 510543
Molport: MolPort-001-761-642
Acorn PharmaTech: ACN-S002233
Acros Organics: 39579...69 total

ref: mol2, SDF, SMILES, flexibase
2.12,0.26,-7.68,0,2,0, 176.002, 1

Similar to: 34569546,
158805
 
#5

ChemMol: 1203496, 44014097, 30111502
eMolecules: 526857
AK Scientific: Y7668
AKOS: AKOS002657000
Alfa-Aesar: L11876...73 total

ref: mol2, SDF, SMILES, flexibase
1.57,3.94,-5.88,0,2,0, 189.056, 0
19230138
 
#6

ChemMol: 83601177, 44028126, 30102920
eMolecules: 481014
Acros Organics: 15938
AK Scientific: HTS001352, I180
AKOS: AKOS000120497...73 total

ref: mol2, SDF, SMILES, flexibase
1.98,2.52,-3.31,2,2,0, 163.007, 0
35270840
 
#7

ChemMol: 44021287, 97805817
AK Scientific: Z2082
Anward: ANW-64473
Ark Pharm Building Blocks: AK103794
BePharm Building Blocks: B235333...15 total

ref: mol2, SDF, SMILES, flexibase
2.39,2.35,-6.38,2,2,0, 181.622, 1
1504382
 
#8

eMolecules: 477181
Acros Organics: 10453
AK Scientific: 8107AA
AKOS: AKOS003611361
Alfa-Aesar: 43968...46 total

ref: mol2, SDF, SMILES, flexibase
4.31,-0.35,-9.15,2,1,0, 217.271, 0

Similar to: 2383164, 5162834, 5162860, 5162861, 6095015, ... 6 in total.
581965
 
#9

ChemMol: 30106536, 44005398, 97800621
eMolecules: 718300
Molport: MolPort-002-041-166
Scientific Exchange (make on demand): F-441725
Acorn PharmaTech: ACN-S004185...69 total

ref: mol2, SDF, SMILES, flexibase
3.19,1.5,-4.38,0,2,0, 262.046, 2

Similar to: 1259685, 34343378,
32627325
 
#10

ChemMol: 44021723
eMolecules: 31408141
Molport: MolPort-005-312-573
Enamine: Z234897281
Enamine Building Blocks: EN300-37535...19 total

ref: mol2, SDF, SMILES, flexibase
0.11,-1.77,-7.62,1,3,0, 116.145, 1
158818
 
#11

ChemMol: 44021884
eMolecules: 45491325
Acros Organics: CC15509
AK Scientific: Y7622
Aldrich CPR: JRD0009|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
1.15,3.48,-9.77,1,3,0, 188.23, 2

Similar to: 32102482, 32127356, 32127358, 44198917, 44198919, ... 6 in total.
19735567
 
#12

ChemMol: 96706481, 44021460
Molport: MolPort-000-860-522
A&J Pharmtech: AJ-00933
Adesis: 2-109
AK Scientific: Z2507...37 total

ref: mol2, SDF, SMILES, flexibase
-1.14,-1.7,-13.88,5,5,0, 152.157, 1

Similar to: 1563458,
21992234
 
#13

ChemMol: 30107366
Acorn PharmaTech: ACN-S004254
Anward: ANW-21542
APIChem: AC-4845
Ark Pharm Building Blocks: AK-87956...26 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.69,-4.46,0,2,0, 194.274, 3

Similar to: 32213606, 32213608, 34220557, 34220559, 34220560, ... 19 in total.
21992237
 
#14

ChemMol: 30107366
Acorn PharmaTech: ACN-S004254
Anward: ANW-21542
APIChem: AC-4845
Ark Pharm Building Blocks: AK-87956...26 total

ref: mol2, SDF, SMILES, flexibase
3.25,7.78,-3.53,0,2,0, 194.274, 3

Similar to: 32213606, 32213608, 34319656, 34319657, 34574347, ... 15 in total.
47508
 
#15

ChemMol: 1031707, 44021771
eMolecules: 717073
Molport: MolPort-001-762-957
AK Scientific: Z2423
AKOS: AKOS000206401...57 total

ref: mol2, SDF, SMILES, flexibase
0.82,4.55,-12.45,0,2,0, 151.19, 2

Similar to: 34975769, 34975771,
5858368
 
#16

ChemMol: 44021671
AK Scientific: Z3145
BOC Sciences BB: 23466-27-5
Chembo Pharma: KB-201151
Enamine Building Blocks: EN300-135438...13 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.77,-7.78,0,3,0, 153.181, 3

Similar to: 156986,
335543
 
#17

ChemMol: 44009182, 1201886, 1033282, 97801912, 30110687
Acorn PharmaTech: ACN-S003059
ACT Chemical BB: ACT01365
AK Scientific: R605
AKOS: AKOS002391480...75 total

ref: mol2, SDF, SMILES, flexibase
1.55,3.08,-5.29,0,3,0, 176.99, 1

Similar to: 25492583,
164535
 
#18

ChemMol: 1033887, 30110261, 1201193, 1032297, 1033600, 98000251, 44003338
eMolecules: 490440
Acros Organics: 27720
AK Scientific: I279
AKOS: AKOS000119338...58 total

ref: mol2, SDF, SMILES, flexibase
2.23,2.2,-4.41,1,1,0, 146.548, 0

Similar to: 39125765,
98179
 
#19

ChemMol: 80101166, 44008166
eMolecules: 521597
Scientific Exchange (make on demand): POD_22/0663
Acros Organics: 32987
AK Scientific: H439...136 total

ref: mol2, SDF, SMILES, flexibase
1.21,1.81,-11.05,1,4,0, 163.132, 0

Similar to: 32189931, 34535297, 39642199,
406938
 
#20

ChemMol: 1201901, 30116720, 44004606, 98000324, 1031439
eMolecules: 486891
Molport: MolPort-000-886-280
AK Scientific: Q024
Alfa-Aesar: B24171...66 total

ref: mol2, SDF, SMILES, flexibase
1.73,4.18,-6.01,0,2,0, 133.15, 1

Similar to: 26515731, 26515733,
35856
 
#21

ChemMol: 44003295, 30103550
eMolecules: 477241
Molport: MolPort-023-220-117
Scientific Exchange (make on demand): X-048291, K-040600
Acros Organics: SB00646...103 total

ref: mol2, SDF, SMILES, flexibase
1.13,3.05,-10.31,2,4,0, 186.236, 4

Similar to: 34476915, 34476916, 40174145,
154638
 
#22

eMolecules: 507643
Molport: MolPort-001-783-211
Acros Organics: 13096
AK Scientific: I941
AKOS: AKOS005439508...219 total

ref: mol2, SDF, SMILES, flexibase
2.78,-2.3,-9.64,0,2,0, 218.277, 2
2388623
 
#23

eMolecules: 933343
Molport: MolPort-001-757-207
Scientific Exchange: T-072430
AKOS: AKOS000343610
Chembo Pharma: KB-147141...23 total

ref: mol2, SDF, SMILES, flexibase
2.89,0.82,-6.34,0,2,0, 259.143, 6

Similar to: 39260314, 43465070,
3860229
 
#24

ChemMol: 80101441
eMolecules: 482932
Molport: MolPort-001-766-707
Scientific Exchange (make on demand): POD_74/0725
AK Scientific: 9473AA...60 total

ref: mol2, SDF, SMILES, flexibase
6.19,9.01,-9.74,0,4,0, 364.404, 4

Similar to: 5781758, 15770218, 32136924, 33836343, 39279001, ... 13 in total.
152265
 
#25

ChemMol: 30106255, 44005239, 1031590
Molport: MolPort-016-637-913
Scientific Exchange (make on demand): M-200473
Acros Organics: 12787
AK Scientific: Q106...86 total

ref: mol2, SDF, SMILES, flexibase
1.85,4.1,-5.75,0,1,0, 126.18, 1
12984556
 
#26

ChemMol: 44021286
eMolecules: 2874347
Molport: MolPort-002-472-564
Scientific Exchange Building Blocks: F-368429
AK Scientific: X8741...42 total

ref: mol2, SDF, SMILES, flexibase
2.97,4.68,-7.59,1,2,0, 224.057, 1
ref: mol2, SDF, SMILES, flexibase
2.54,4.62,-14.33,0,2,0, 224.057, 1
1081250
 
#27

ChemMol: 80100114, 83601793
eMolecules: 535071
Molport: MolPort-000-871-185
Scientific Exchange: Z-026449
Acros Organics: 10607...77 total

ref: mol2, SDF, SMILES, flexibase
3.35,1.79,-10.43,0,2,0, 212.248, 4

Similar to: 2382861, 34567236,
3883973
 
#28

ChemMol: 44008683, 1032582, 42307052
eMolecules: 528255
Acorn PharmaTech: ACN-S004331
AK Scientific: U484
AKOS: AKOS001427853...70 total

ref: mol2, SDF, SMILES, flexibase
1.84,3.82,-6.59,0,3,0, 171.583, 2
388164
 
#29

ChemMol: 44004266, 1201118, 1036866, 98000700, 30104810
eMolecules: 479894
Molport: MolPort-001-757-143
Scientific Exchange (make on demand): X-047879
Acros Organics: 15503...73 total

ref: mol2, SDF, SMILES, flexibase
2.97,-2.18,-1.94,2,1,0, 250.921, 0

Similar to: 34592686, 36460888,
167173
 
#30

ChemMol: 30115006, 98001141, 1200935, 1033468, 44007354
eMolecules: 512998
Scientific Exchange (make on demand): M-720305
AK Scientific: N478
AKOS: AKOS000212554...59 total

ref: mol2, SDF, SMILES, flexibase
4.20,2.5,-3.11,0,1,0, 203.188, 2

Similar to: 6535729,
2013555
 
#31

Acros Organics: 11415
AK Scientific: I794
Alfa-Aesar: A13343
Anward: ANW-15168
Ark Pharm Building Blocks: AK117351...63 total

ref: mol2, SDF, SMILES, flexibase
3.77,2.16,-1.67,0,0,0, 134.222, 2
3860664
 
#32

Alfa-Aesar: L04330
Anward: ANW-16177
FineTech: FT-0608200
J&K Chemical: A01111294
Labotest: LTBB001436...85 total

ref: mol2, SDF, SMILES, flexibase
2.58,0.66,-0.94,0,0,0, 104.218, 3
hi: mol2, SDF, SMILES, flexibase
2.58,-0.3,-42.8,0,0,-1, 103.21, 3
58126
 
#33

ChemMol: 44019582
eMolecules: 519321
Aldrich CPR: S416312|ALDRICH
Alfa-Aesar: A14528
Alinda Building Blocks: ALBB-015749...54 total

ref: mol2, SDF, SMILES, flexibase
1.60,1.23,-12.69,2,4,0, 192.17, 0

Similar to: 39244370,
164849
 
#34

ChemMol: 1200926, 1033473, 98000262, 44006554
Alfa-Aesar: L12576
Alinda Building Blocks: ALBB-007574
Angene Building Blocks: AGN-PC-0JLB6G
Anward: ANW-21530...53 total

ref: mol2, SDF, SMILES, flexibase
2.66,3.19,-2.64,0,2,0, 187.12, 2
159361
 
#35

eMolecules: 492995
Acorn PharmaTech: ACN-S002505
Acros Organics: 41802
Alfa-Aesar: A16309
Angene Building Blocks: AGN-PC-0JLGK8...57 total

ref: mol2, SDF, SMILES, flexibase
0.64,4.35,-12.56,0,2,0, 125.171, 2

Similar to: 34975750, 34975752,
4521285
 
#36

AK Scientific: W0475
ChemBridge: 5222726
FineTech: FT-0620977
J&K Chemical: A01111529
Molport BB: MolPort-006-069-091...11 total

ref: mol2, SDF, SMILES, flexibase
1.64,-9.74,-8.6,4,6,0, 385.21, 3

Similar to: 2149682, 2387021, 642953, 1081241, 2126592, ... 9 in total.
164553
 
#37

ChemMol: 97806688, 44003426
eMolecules: 491546
AKOS: AKOS001044515
Alfa-Aesar: A10183
Angene Building Blocks: AGN-PC-0JL7YS...54 total

ref: mol2, SDF, SMILES, flexibase
3.18,3.56,-3.95,1,1,0, 230.107, 2

Similar to: 32189904, 34522414, 34583289,
1995190
 
#38

AK Scientific: 5595AD
Alfa-Aesar: A17834
Anward: ANW-22670
Apollo Scientific: PC1006
Capot Chemical: 13366...31 total

ref: mol2, SDF, SMILES, flexibase
3.29,6.74,-1.62,0,0,0, 208.129, 2
4521659
 
#39

ChemMol: 97806495, 83601580
Molport: MolPort-002-461-883
Acros Organics: 34876
AK Scientific: X8439
AKOS: AKOS009104339...49 total

ref: mol2, SDF, SMILES, flexibase
-0.95,-2.59,-10,0,5,0, 174.199, 2
4277350
 
#40

ChemMol: 44012935
eMolecules: 724785
AK Scientific: Z2677
Anward: ANW-71981
Ark Pharm Building Blocks: AK-59414...23 total

ref: mol2, SDF, SMILES, flexibase
3.52,0.17,-9.85,0,1,0, 255.136, 1
164490
 
#41

ChemMol: 30116513, 96707617, 44014218, 97800387, 44022569
eMolecules: 534132
Acros Organics: 40062
Alfa-Aesar: A10895
Anward: ANW-50291...91 total

ref: mol2, SDF, SMILES, flexibase
1.27,3.17,-5.62,2,2,0, 135.166, 1

Similar to: 38221755, 39038370, 39048633, 39244519, ... 4 in total.
66322726
 
#42

ChemMol: 97805876, 44021570
Molport: MolPort-020-006-235
AK Scientific: Z3150
J&K Chemical: A01111841
Molport BB: MolPort-020-006-235...10 total

ref: mol2, SDF, SMILES, flexibase
0.02,5.38,-7.95,1,6,0, 251.286, 4
15205834
 
#43

BioSynth: A-7070
J&K Chemical: A01111882
PubChem: 26470546, 24801900
SureChEMBL: SCHEMBL7054922
ref: mol2, SDF, SMILES, flexibase
-1.25,-6.53,-10.81,6,7,0, 271.269, 3
12503321
 
#44

J&K Chemical: A01111882
Indofine (Depleted): 04-284
PubChem: 24801900, 25323019
ref: mol2, SDF, SMILES, flexibase
-1.25,-6.8,-11,6,7,0, 271.269, 3

Similar to: 31540057, 5161895, 5161896, 1319719, 402619, ... 12 in total.
5420865
 
#45

AK Scientific: W0202
American Custom Chemicals Corp.: CRB0000244
Ark Pharm Building Blocks: AK145642
Chembo Pharma: KB-36569
J&K Chemical: A01111882...16 total

ref: mol2, SDF, SMILES, flexibase
-1.25,-11.6,-8.23,6,7,0, 271.269, 3

Similar to: 38590741,
33358902
 
#46

American Custom Chemicals Corp.: CRB0000016, CRB0002403
BioSynth: W-201837
J&K Chemical: A01111882
Molport BB: MolPort-039-015-563
Toronto Research Chemicals: A625000...16 total

ref: mol2, SDF, SMILES, flexibase
-1.25,-6.72,-17.16,6,7,0, 271.269, 3
159769
 
#47

ChemMol: 44003685, 83600960, 98000121, 1034174, 80101100, 1202383, 30104011
eMolecules: 477680
Scientific Exchange (make on demand): X-089948
Acros Organics: 14636
AF ChemPharm: CP-2002...81 total

ref: mol2, SDF, SMILES, flexibase
2.88,6.26,-7.22,0,1,0, 233.492, 2
164760
 
#48

ChemMol: 1200084, 1030021, 98000851, 30101281, 44003408
Acros Organics: SB01686
Alfa-Aesar: A18628
Angene Building Blocks: AGN-PC-0JS8LS
Anward: ANW-20645...60 total

ref: mol2, SDF, SMILES, flexibase
2.90,6.02,-3.12,0,0,0, 207.017, 1
967580
 
#49

ChemMol: 30102443, 97804610, 44002638
eMolecules: 29916969
Molport: MolPort-002-507-223
TCM Database @ Taiwan: 25901
UEFS Natural Products: uefs-287...149 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.7,-0.56,0,0,0, 136.238, 0

Similar to: 60247730, 60247732,
967579
 
#50

ChemMol: 97804485
eMolecules: 29916969
TCM Database @ Taiwan: 25982, tcm03_006892
Acros Organics: 13126, 16436, 13127
AK Scientific: 2203AC...144 total

ref: mol2, SDF, SMILES, flexibase
3.54,6.7,-0.55,0,0,0, 136.238, 0

Similar to: 60247730, 60247732,
1081192
 
#51

ChemMol: 97804663, 44021664
eMolecules: 505692
AKOS: AKOS009159005
Alfa-Aesar: H61287
Angene Building Blocks: AGN-PC-0O6PG9...39 total

ref: mol2, SDF, SMILES, flexibase
0.71,2.81,-6.58,3,4,0, 178.117, 2
164884
 
#52

ChemMol: 30103609, 44003359, 97806451
eMolecules: 489305
Acros Organics: 20478
Alfa-Aesar: A14231
Anward: ANW-72858...75 total

ref: mol2, SDF, SMILES, flexibase
2.77,1.47,-4.95,1,1,0, 162.11, 1

Similar to: 34343595, 34589141,
389586
 
#53

ChemMol: 44029491, 30106927
Acorn PharmaTech: ACN-S003815
Acros Organics: 40102
AK Scientific: Q154
Alfa-Aesar: L13433...36 total

ref: mol2, SDF, SMILES, flexibase
0.45,3,-11.46,2,3,0, 143.149, 0
4498304
 
#54

Element Store BB: b2star-34031-32-8
J&K Chemical: A01112068
Vesino Industrial Co Ltd: VZ21649
ChemDB: 7640565, 5817168
Collaborative Drug Discovery: 45876...47 total

ref: mol2, SDF, SMILES, flexibase
0.69,3.09,-16.51,0,9,0, 364.372, 9
hi: mol2, SDF, SMILES, flexibase
0.69,2.13,-60.64,0,9,-1, 363.364, 9

Similar to: 4501340, 4802686, 4802694, 4802701, 5940086, ... 15 in total.
4501340
 
#55

Element Store BB: b2star-34031-32-8
J&K Chemical: A01112068
Vesino Industrial Co Ltd: VZ21649
ChemDB: 5817168, 7640565
Collaborative Drug Discovery: 45876...41 total

ref: mol2, SDF, SMILES, flexibase
0.69,3.59,-14.49,0,9,0, 364.372, 9
hi: mol2, SDF, SMILES, flexibase
0.69,2.63,-48.32,0,9,-1, 363.364, 9

Similar to: 4802686, 4802694, 4802701, 5940086, 12359980, ... 15 in total.
3860849
 
#56

ChemMol: 44022365
Molport: MolPort-002-498-179
AK Scientific: 0214AB
Alfa-Aesar: L11404
Ark Pharm Building Blocks: AK115340...46 total

ref: mol2, SDF, SMILES, flexibase
0.69,3.01,-16.67,0,9,0, 364.372, 9
hi: mol2, SDF, SMILES, flexibase
0.69,2.05,-61.44,0,9,-1, 363.364, 9

Similar to: 4498292, 4498297, 4498304, 4501340, 4802686, ... 14 in total.
4802686
 
#57

Alfa-Aesar: L11404
J&K Chemical: A01112068
PubChem: 7364137
ref: mol2, SDF, SMILES, flexibase
0.69,3.69,-16.02,0,9,0, 364.372, 9
hi: mol2, SDF, SMILES, flexibase
0.69,2.74,-53.04,0,9,-1, 363.364, 9

Similar to: 4802694, 4802701, 5940086, 12359980, 12503226, ... 15 in total.
151237
 
#58

ChemMol: 30114342, 44016482, 1201850
eMolecules: 480211
Molport: MolPort-001-765-338
Acros Organics: 10566
AKOS: AKOS001040879...85 total

ref: mol2, SDF, SMILES, flexibase
2.03,2.52,-6.23,0,2,0, 136.179, 0
2012739
 
#59

ChemMol: 96707527
Molport: MolPort-001-791-596
AK Scientific: L341
Alfa-Aesar: L07294
Anward: ANW-38960...129 total

ref: mol2, SDF, SMILES, flexibase
3.58,4.42,-3,1,1,0, 150.221, 1

Similar to: 5761641,
71261636
 
#60

ChemMol: 44021300
J&K Chemical: A01112291
SureChEMBL: SCHEMBL6098744
ref: mol2, SDF, SMILES, flexibase
3.10,8.78,-13.43,1,5,0, 309.321, 6
162965
 
#61

ChemMol: 30113739
eMolecules: 507541
Acros Organics: 13399
AK Scientific: U697
Angene Building Blocks: AGN-PC-0JLY8J...48 total

ref: mol2, SDF, SMILES, flexibase
2.56,1.23,-7.72,1,3,0, 166.176, 2

Similar to: 2173735, 32267323, 39039328, 39236516, 44199488, ... 5 in total.
1690028
 
#62

ChemMol: 97806700, 30106311, 83601699, 83601676, 83600278, 97806772, 30110526, 44005265, 44027066, 30106319, 83602426, 44022968, 30106297, 83601693, 83601674, 97801006, 44028903, 30106310, 83601726, 30106287, 83601685
Molport: MolPort-015-143-625, MolPort-019-877-826, MolPort-023-220-129
Acros Organics: 21130, 36361, 29712, 11141, 37565, 22397, 36396
AK Scientific: X4908, 5996AA, 4303AA, X4617, 4331AB, 3897AA, K782, 4304AA
Aldrich CPR: CDS005050|ALDRICH...927 total

ref: mol2, SDF, SMILES, flexibase
3.24,5.82,-0.77,0,0,0, 108.184, 0
49957373
 
#63

ChemMol: 83600278, 97806772, 44027066, 30106310, 30106287, 83601699, 83601676, 97801006, 44005265, 44022968, 30110526, 30106311, 83602426, 83601693, 83601674, 97806700, 44028903, 30106319, 30106297, 83601726, 83601685
Molport: MolPort-019-877-826, MolPort-015-143-625
Acros Organics: 36396, 21130, 36361, 29712, 11141, 37565, 22397
AK Scientific: 4331AB, K782, 3897AA, X4908, 4304AA, X4617, 5996AA, 4303AA
Aldrich CPR: CDS005050|ALDRICH...856 total

ref: mol2, SDF, SMILES, flexibase
3.24,5.69,-0.59,0,0,0, 108.184, 0
25758475
 
#64

AK Scientific: W0418
Ark Pharm Building Blocks: AK-56205
J&K Chemical: A01112355
Sigma Aldrich (Building Blocks): 16597|SIGMA
Tetrahedron Building Blocks: TS69009...12 total

ref: mol2, SDF, SMILES, flexibase
0.55,-2.13,-17.95,4,8,0, 392.282, 4

Similar to: 15206294, 15206297,
38209057
 
#65

J&K Chemical: A01Y78013, A01Y78012
Ryan Scientific BB: 074-58424, 074-58423
Tractus: TRA0077521
Zylexa Pharma BB: ZP-BB-AL005800, ZP-BB-AL005799
AKOS BB (make-on-demand): AKOS015950895...11 total

ref: mol2, SDF, SMILES, flexibase
5.00,14.09,-10.91,0,3,0, 374.376, 2

Similar to: 38253780,
1589273
 
#66

Acros Organics: 30736
AK Scientific: 8498AD
Alfa-Aesar: L09688, L10285
American Custom Chemicals Corp.: HCH0040748
Anward: ANW-25769...42 total

ref: mol2, SDF, SMILES, flexibase
2.00,4.8,-3.73,0,2,0, 168.114, 4
153906
 
#67

ChemMol: 44002480, 30200796, 2000231, 1036461, 96700086, 30102158
eMolecules: 476901
Acorn PharmaTech: ACN-S002848
Acros Organics: 10390, 42662
AK Scientific: L795...106 total

ref: mol2, SDF, SMILES, flexibase
1.21,2.39,-5.96,3,2,0, 132.166, 0

Similar to: 32206420,
1599516
 
#68

ChemMol: 44022232
eMolecules: 494083
Acros Organics: 38722
AK Scientific: M782
AKOS: AKOS003654048...86 total

ref: mol2, SDF, SMILES, flexibase
3.84,2.52,-6.46,0,1,0, 193.249, 1

Similar to: 34612578, 39240400, 39348542,
165270
 
#69

ChemMol: 1200266, 44003049, 1037450, 98000367, 30103080
eMolecules: 482173
Acros Organics: SEW02565, 16390
AK Scientific: L522
Alfa-Aesar: A15943...87 total

ref: mol2, SDF, SMILES, flexibase
1.46,4.6,-11.37,0,2,0, 131.134, 1

Similar to: 39251725,
2582041
 
#70

ChemMol: 51502143, 44003510, 30103717
eMolecules: 891316
ACT Chemical BB: ACT03484
AKOS: AKOS002665643
Alfa-Aesar: L17148...53 total

ref: mol2, SDF, SMILES, flexibase
1.31,3.7,-6.99,0,2,0, 118.139, 0
lo: mol2, SDF, SMILES, flexibase
1.31,3.96,-36.09,1,2,1, 119.147, 0

Similar to: 39050076,
152903
 
#71

ChemMol: 44022826, 1200093, 98001265
eMolecules: 715545
Acros Organics: 32616
AKOS: AKOS000121335
Alfa-Aesar: L05254...51 total

ref: mol2, SDF, SMILES, flexibase
3.93,0.35,-3.49,0,0,0, 239.927, 1
71791181
 
#72

AK Scientific: W9182
J&K Chemical: A011130038
PubChem: 56924602
AKOS (make-on-demand): AKOS015856448
ref: mol2, SDF, SMILES, flexibase
2.47,5.01,-7.92,3,4,0, 285.343, 7
mid: mol2, SDF, SMILES, flexibase
2.47,5.14,-47.08,4,4,1, 286.351, 7
71791179
 
#73

AK Scientific: W8923
J&K Chemical: A011130038
PubChem: 56924600
AKOS (make-on-demand): AKOS015856434
ref: mol2, SDF, SMILES, flexibase
2.47,4.99,-7.43,3,4,0, 285.343, 7
mid: mol2, SDF, SMILES, flexibase
2.47,5.16,-46.94,4,4,1, 286.351, 7
39419107
 
#74

ChemMol: 44030341, 30116165
AK Scientific: X9734
APIChem: AC-23790
Ark Pharm Building Blocks: AK-43930
BePharm Building Blocks: B211510...19 total

ref: mol2, SDF, SMILES, flexibase
0.46,3.3,-12.73,1,5,0, 215.249, 3

Similar to: 38524779,
2584404
 
#75

ChemMol: 83601166, 97800842
Acorn PharmaTech: ACN-S004152, ACN-S002271
Acros Organics: 33939
ACT Chemical BB: ACT06801
AK Scientific: X4466...44 total

ref: mol2, SDF, SMILES, flexibase
0.88,5.34,-10.29,0,4,0, 174.196, 5

Similar to: 5735147, 5751429, 5922347, 5925009, 31319970, ... 14 in total.
901469
 
#76

eMolecules: 3404544
Molport: MolPort-002-496-000
AK Scientific: K323, 1581AB
AKOS: AKOS002346584
Aldrich CPR: T331058|ALDRICH...186 total

ref: mol2, SDF, SMILES, flexibase
-3.25,4.73,-27.22,0,1,1, 94.137, 0
1706222
 
#77

ChemMol: 97803238, 97806236, 97806316, 30100965, 97806319, 97806322, 97806325, 97806329, 44010107, 83600425, 44003548, 97806234, 97806237, 97806317, 97806320, 97806323, 83601338, 44032756, 97806326, 44022704, 97806332, 44010108, 97800566, 97802816, 97806235, 97806266, 30100966, 97806318, 97806321, 97806324, 1202767, 97806328, 44021981, 97806339
Molport: MolPort-020-006-418, MolPort-020-006-421, MolPort-020-006-424, MolPort-020-006-427, MolPort-020-006-431, MolPort-020-006-412, MolPort-020-006-416, MolPort-020-006-419, MolPort-020-006-422, MolPort-020-006-425, MolPort-020-006-429, MolPort-020-006-433, MolPort-020-006-413, MolPort-001-768-916, MolPort-020-006-417, MolPort-020-006-420, MolPort-020-006-423, MolPort-020-006-426, MolPort-020-006-430, MolPort-020-006-436, MolPort-020-006-109, MolPort-020-006-415
Scientific Exchange: POD_29/0148, L19/LTRi-263
Scientific Exchange (make on demand): POD_14/0979
Acorn PharmaTech: ACN-S003618...3293 total

ref: mol2, SDF, SMILES, flexibase
2.12,12.53,-28.85,0,1,1, 242.471, 12

Similar to: 1722767, 2026895, 32136911, 32151675, 32153456, ... 13 in total.
3861661
 
#78

ChemMol: 30105139
Molport: MolPort-002-524-582, MolPort-002-506-907
TCM Database @ Taiwan: 39087
Acros Organics: 21539
AK Scientific: H110...96 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.76,-6.06,1,2,0, 290.447, 0
13615
 
#79

ChemMol: 30111300, 83600239, 44002602, 1201081, 98000582
eMolecules: 480355
Scientific Exchange (make on demand): F-066892
Acros Organics: 15661
AKOS: AKOS000119850...101 total

ref: mol2, SDF, SMILES, flexibase
2.10,3.47,-2.54,2,1,0, 219.025, 0

Similar to: 6093080, 34598189,
34781692
 
#80

ChemMol: 44005687, 30202544, 30107074
eMolecules: 515547, 1012339
Molport: MolPort-001-792-200
Acros Organics: 12010
ACT Chemical BB: ACT08376...128 total

ref: mol2, SDF, SMILES, flexibase
-1.02,-0.75,-5.82,2,3,0, 89.094, 2
4204272
 
#81

ChemMol: 97802479, 44021277, 30109868
eMolecules: 4356846
AK Scientific: Y5565
Angene Building Blocks: AGN-PC-0OIJKQ
Anward: ANW-53905...41 total

ref: mol2, SDF, SMILES, flexibase
1.36,0.29,-6.64,2,3,0, 134.138, 0
mid: mol2, SDF, SMILES, flexibase
1.36,0.37,-9.13,2,3,0, 134.138, 0
hi: mol2, SDF, SMILES, flexibase
0.47,1.43,-45.13,0,3,-1, 133.13, 0
54769
 
#82

eMolecules: 724574
Acros Organics: CC27510
AK Scientific: Y9562
AKOS: AKOS003585189
Aldrich CPR: CDS016824|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
3.00,0.98,-4.53,0,1,0, 197.031, 0

Similar to: 5844200, 6091799, 31518227, 32163957, 32163977, ... 23 in total.
4556852
 
#83

ChemMol: 44007889
eMolecules: 591530
Molport: MolPort-003-849-160
Scientific Exchange (make on demand): R-099768
Apollo Scientific Bioactives: BIM1094...29 total

ref: mol2, SDF, SMILES, flexibase
0.10,-1.27,-18.13,4,8,0, 338.312, 3

Similar to: 2386907, 2387029, 2596997, 519405, 1070096, ... 11 in total.
4556853
 
#84

ChemMol: 44007889
eMolecules: 591530
Molport: MolPort-003-849-160
Scientific Exchange (make on demand): R-099768
Apollo Scientific Bioactives: BIM1095...30 total

ref: mol2, SDF, SMILES, flexibase
0.10,-1.44,-15.9,4,8,0, 338.312, 3

Similar to: 519405, 1070096, 2047175, 2133555, 2387029, ... 9 in total.
2133555
 
#85

ChemMol: 44007889
eMolecules: 591530
Molport: MolPort-003-849-160
Scientific Exchange (make on demand): R-099768
BioSynth: M-5730...26 total

ref: mol2, SDF, SMILES, flexibase
0.10,-2.23,-16.25,4,8,0, 338.312, 3

Similar to: 2387029, 2596997, 4073899, 4083819, 4282201, ... 20 in total.
2596997
 
#86

ChemMol: 44007889
eMolecules: 591530
Molport: MolPort-003-849-160
Scientific Exchange (make on demand): R-099768
BioSynth: M-5738...28 total

ref: mol2, SDF, SMILES, flexibase
0.10,-2.13,-15.54,4,8,0, 338.312, 3

Similar to: 4282201, 4282235, 4556852, 15205513, 15205952, ... 14 in total.
4282235
 
#87

Acros Organics: 33716
AK Scientific: W0255
FineTech: FT-0619134
Fluorochem: M02744
Indofine: M1094...21 total

ref: mol2, SDF, SMILES, flexibase
0.10,-7.73,-15.83,4,8,0, 338.312, 3

Similar to: 2387029, 2596997, 519405, 1070096, 2047175, ... 10 in total.
165047
 
#88

ChemMol: 83603029, 44015603, 98000949, 44006863, 30110799, 97800572, 1200283, 1037241
eMolecules: 496554
Acros Organics: 31122
AK Scientific: L510
Alfa-Aesar: A19923...69 total

ref: mol2, SDF, SMILES, flexibase
2.50,2.18,-5.93,0,1,0, 158.559, 1
896324
 
#89

ChemMol: 44010237, 1034198
eMolecules: 490081
Acros Organics: 10854
AKOS: AKOS000118934
Alfa-Aesar: A12115...86 total

ref: mol2, SDF, SMILES, flexibase
2.51,5.5,-6.27,0,1,0, 154.596, 1
20230840
 
#90

Acros Organics: CC43904
AK Scientific: Y9190
Aldrich CPR: CDS016290|ALDRICH
Ark Pharm Building Blocks: AK142228
Chembo Pharma: KB-80920...18 total

ref: mol2, SDF, SMILES, flexibase
1.86,5.64,-10.88,0,6,0, 291.351, 4
34781262
 
#91

ChemMol: 30113745, 30200563
Molport: MolPort-002-468-770
Acros Organics: 39750
ACT Chemical BB: ACT07185
AKOS: AKOS008043460...71 total

ref: mol2, SDF, SMILES, flexibase
-0.04,0.17,-5.15,1,3,0, 103.121, 3
391793
 
#92

ChemMol: 80101168, 44010899
eMolecules: 529276
Molport: MolPort-003-987-137, MolPort-001-768-941
Acros Organics: 11866, 41016
AK Scientific: I463...186 total

ref: mol2, SDF, SMILES, flexibase
0.28,1.33,-8.44,1,3,0, 118.132, 3
1646477
 
#93

ChemMol: 44003652
eMolecules: 487033
Molport: MolPort-001-769-179
Acros Organics: 18794
AK Scientific: V6163...59 total

ref: mol2, SDF, SMILES, flexibase
2.49,1.47,-5.62,0,1,0, 174.243, 1

Similar to: 2582082, 5308841, 5308844, 5308911, 5308912, ... 27 in total.
88596
 
#94

ChemMol: 1031075, 1201289, 98000931, 97800554, 30106391, 44005314
eMolecules: 481719, 857823
Molport: MolPort-000-893-698
Scientific Exchange (make on demand): F-053106
Acorn PharmaTech: ACN-000242...132 total

ref: mol2, SDF, SMILES, flexibase
1.99,2.8,-3.39,3,2,0, 187.04, 1
lo: mol2, SDF, SMILES, flexibase
1.99,2.6,-48.64,4,2,1, 188.048, 1

Similar to: 3676564, 39284047,
34171709
 
#95

ChemMol: 51502711, 30112759, 44022481, 44022425
AK Scientific: 5249AA
Anward: ANW-44598
Apexmol Building Blocks: AM20050741
APIChem: AC-7707...30 total

ref: mol2, SDF, SMILES, flexibase
0.98,2.03,-4.69,2,2,0, 122.171, 1
mid: mol2, SDF, SMILES, flexibase
0.98,2.36,-26.33,3,2,1, 123.179, 1

Similar to: 39048685, 39050792,
393991
 
#96

ChemMol: 44003068, 30103114
eMolecules: 2720911
Scientific Exchange Building Blocks: F-452482
Acorn PharmaTech: ACN-000499
AK Scientific: W3587...51 total

ref: mol2, SDF, SMILES, flexibase
-0.84,1.07,-6.11,4,5,0, 135.13, 0
mid: mol2, SDF, SMILES, flexibase
-0.84,1.37,-37.03,5,5,1, 136.138, 0
mid: mol2, SDF, SMILES, flexibase
-0.84,-2.32,-32.13,5,5,1, 136.138, 0

Similar to: 25491356,
1706
 
#97

ChemMol: 30100397, 44008526, 1202892
eMolecules: 519007
Molport: MolPort-000-872-088
TCM Database @ Taiwan: 30538
Acros Organics: 12721...114 total

ref: mol2, SDF, SMILES, flexibase
0.53,3.38,-6.29,0,3,0, 137.138, 2
330773
 
#98

ChemMol: 44005434, 42307161, 30106588, 44028128, 1032640, 97804736, 1203153
Acorn PharmaTech: ACN-S003317
AKOS: AKOS000267009
Alfa-Aesar: L19527
Angene Building Blocks: AGN-PC-0JWHU0...74 total

ref: mol2, SDF, SMILES, flexibase
2.61,-1.21,-5.09,0,1,0, 236.894, 0
lo: mol2, SDF, SMILES, flexibase
2.61,-1.1,-32.85,1,1,1, 237.902, 0
334302
 
#99

ChemMol: 44021530, 96700648
Scientific Exchange (make on demand): H-049206
AK Scientific: Y9207
AKOS: AKOS003867781
Aldrich CPR: S803375|ALDRICH...34 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.72,-13.02,1,3,0, 150.181, 1
lo: mol2, SDF, SMILES, flexibase
0.71,3.48,-26.86,2,3,1, 151.189, 1

Similar to: 34567722, 39051086,
896981
 
#100

ChemMol: 44010625
Molport: MolPort-001-768-398, MolPort-003-387-949
Acros Organics: 21667, 42031, 42029, 19494, 22161, 34382, 37980, 15090, 16107, 17607, 21666, 22071, 42028
ACT Chemical BB: ACT05650, ACT05645
AK Scientific: 6551AD...1206 total

ref: mol2, SDF, SMILES, flexibase
-2.13,6.48,-25.11,0,1,1, 130.255, 4

Similar to: 1242720,

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 = 700 ) limit 0,100

Smiles were