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
1643374
 
#1

eMolecules: 2720887
Molport: MolPort-002-742-890
BioBlocks: A4053/0172860
BioBlocks BB: ZERO/004592
ChemDiv BuildingBlocks: BB54-0811...20 total

ref: mol2, SDF, SMILES, flexibase
-0.29,3.98,-15.74,0,4,0, 142.121, 0

Similar to: 4530121,
1295983
 
#2

Chemical Block: A4141/0176483
TimTec Building Blocks: SBB002789
ref: mol2, SDF, SMILES, flexibase
0.21,1.91,-53.13,1,4,-1, 139.134, 2
4258716
 
#3

eMolecules: 837471
Scientific Exchange (make on demand): M-317615
AK Scientific: 5683AE
AKOS: AKOS000168387
Alinda: IBS-L0033128...54 total

ref: mol2, SDF, SMILES, flexibase
1.87,6.71,-51.82,0,4,-1, 201.205, 3

Similar to: 34925310,
8698121
 
#4

ChemMol: 98000875, 44003142, 30103283, 1201361, 1032497
eMolecules: 491917
Molport: MolPort-001-769-158
Acorn PharmaTech: ACN-S001286, ACN-S002220
AKOS: AKOS000103822...81 total

ref: mol2, SDF, SMILES, flexibase
0.34,-0.87,-50.39,1,4,-1, 138.102, 1
12358712
 
#5

Alfa-Aesar: A12458
Florida Heterocyclic Compounds: 34552
Maybridge Building Blocks: KM01643
NCI Plated 2007: 50359
TimTec Building Blocks: SBB004318...5 total

ref: mol2, SDF, SMILES, flexibase
0.01,3.78,-15.81,1,5,0, 113.076, 1
mid: mol2, SDF, SMILES, flexibase
0.01,4.24,-46.12,2,5,1, 114.084, 1
105086
 
#6

ChemMol: 30107927, 44006160
eMolecules: 729333, 530749
Molport: MolPort-002-718-925, MolPort-001-740-892
TCM Database @ Taiwan: 37193, 30572, 31817
UEFS Natural Products: uefs-472...120 total

ref: mol2, SDF, SMILES, flexibase
0.71,-3.79,-12.73,5,7,0, 304.254, 1
ref: mol2, SDF, SMILES, flexibase
0.71,-4.14,-13.36,5,7,0, 304.254, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-3.14,-52.96,4,7,-1, 303.246, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-3.51,-56.93,4,7,-1, 303.246, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-3.07,-59.89,4,7,-1, 303.246, 1
hi: mol2, SDF, SMILES, flexibase
0.71,-2.8,-52.35,4,7,-1, 303.246, 1

Similar to: 4096001, 4096945, 4096947, 6484598, 6484599, ... 12 in total.
1704331
 
#7

AKOS: AKOS008333298
Aldrich CPR: S116122|ALDRICH
Alinda Building Blocks: ALBB-016032
ChemDiv BuildingBlocks: BB55-8667
Fluorochem: 370924...21 total

ref: mol2, SDF, SMILES, flexibase
3.08,1.68,-10.36,0,6,0, 282.255, 3

Similar to: 19722098, 39372774,
227060
 
#8

eMolecules: 848628
Molport: MolPort-000-889-791
Scientific Exchange (make on demand): K-002683
AKOS: AKOS000201743
Aldrich CPR: CDS004127|ALDRICH...40 total

ref: mol2, SDF, SMILES, flexibase
3.39,2.46,-9.93,0,3,0, 256.301, 5
4762328
 
#9

AK Scientific: Z1622, 7674AB
Aldrich CPR: S784044|ALDRICH
Alfa-Aesar: H55576
American Custom Chemicals Corp.: CCH0004689
Anward: ANW-65240...47 total

ref: mol2, SDF, SMILES, flexibase
-0.65,-2.92,-41.2,5,3,1, 103.145, 2

Similar to: 5828683, 31976973,
4731371
 
#10

eMolecules: 5414305
Molport: MolPort-004-961-659
Aldrich CPR: TMT00506|ALDRICH
Alinda Building Blocks: ALBB-006601
ChemDiv: R052-0595...20 total

ref: mol2, SDF, SMILES, flexibase
2.53,7.33,-53.15,0,5,-1, 302.331, 6

Similar to: 5280742, 34403207, 34422877, 34424881, 34468644, ... 10 in total.
6857902
 
#11

AKOS: AKOS004941615
Aldrich CPR: TMT00551|ALDRICH
ChemDiv BuildingBlocks: BB01-6461
Mcule: MCULE-9700096334
Molport BB: MolPort-004-961-666...12 total

ref: mol2, SDF, SMILES, flexibase
2.34,-0.76,-42.16,0,4,-1, 211.266, 4

Similar to: 34218374, 39957337,
2562225
 
#12

eMolecules: 707860
ACB Blocks: FIT-0027
Acorn PharmaTech: ACN-C000842
AK Scientific: 6227AA
AKOS: AKOS000749048...37 total

ref: mol2, SDF, SMILES, flexibase
2.90,1.68,-12.21,0,3,0, 246.266, 2

Similar to: 6423780, 6622528, 31974683, 31974745, 31974787, ... 19 in total.
19134746
 
#13

eMolecules: 1683409
Molport: MolPort-001-516-349
Scientific Exchange (make on demand): C-087904
AKOS: AKOS003269952
Alinda: IBS-L0129126...24 total

ref: mol2, SDF, SMILES, flexibase
1.52,4.76,-11.83,1,7,0, 342.351, 4

Similar to: 39641729,
12405143
 
#14

ChemMol: 83601364
eMolecules: 206843992
Acros Organics: SPB02881
AK Scientific: Y9508
Alfa-Aesar: H58879...39 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.17,-5.37,3,4,0, 220.15, 3

Similar to: 34961492, 39712885, 2547296,
17021519
 
#15

eMolecules: 206846064
Molport: MolPort-000-889-169
Acros Organics: 43831
AKOS: AKOS000307969
Alfa-Aesar: L08677...36 total

ref: mol2, SDF, SMILES, flexibase
2.01,1.78,-4.19,1,2,0, 115.176, 1
ref: mol2, SDF, SMILES, flexibase
2.01,1.72,-3.8,1,2,0, 115.176, 1

Similar to: 14590616,
4342751
 
#16

Molport: MolPort-002-720-741
BioBlocks: A3123/0132189
BioBlocks BB: ZERO/005024
ChemDiv: 8014-2189
Chemical Block: A3123/0132189...18 total

ref: mol2, SDF, SMILES, flexibase
2.52,2.24,-44.16,1,2,1, 232.347, 3

Similar to: 4342753, 39224972, 39646465, 44677461, 44677462, ... 8 in total.
333465
 
#17

eMolecules: 46473783, 1345149
Molport: MolPort-001-966-108
AKOS: AKOS000567427
Ark Pharm Building Blocks: AK134551
BioBlocks: A3504/0148488...27 total

ref: mol2, SDF, SMILES, flexibase
0.92,3.29,-99.18,6,2,2, 224.392, 4

Similar to: 38439612, 38439613, 38439614, 38439615, 38526239, ... 10 in total.
3882611
 
#18

ChemMol: 1031100
eMolecules: 2583212, 6252718
Molport: MolPort-002-762-495
AKOS: AKOS003726241, AKOS015921955
Aldrich CPR: PH010081|ALDRICH...62 total

ref: mol2, SDF, SMILES, flexibase
0.31,3.3,-42.96,0,7,-1, 184.131, 2
13479989
 
#19

Asinex: BAS08812323
Asinex Building Blocks: BAS08812323
Chemical Block: A3656/0155022
Matrix Scientific: 012475
TimTec Building Blocks: SBB013270...8 total

ref: mol2, SDF, SMILES, flexibase
0.56,5.34,-78.32,1,6,0, 294.351, 6

Similar to: 4294702, 4294703,
1301217
 
#20

Chemical Block: A3656/0155019
Combi-Blocks: QA-3042
Ryan Scientific BB: 077-47441
TimTec Building Blocks: SBB013267
ACB Blocks (Depleted): VAR-0030...7 total

ref: mol2, SDF, SMILES, flexibase
0.81,-0.56,-59.54,0,8,-1, 374.369, 6

Similar to: 4237634, 4237635, 12404545,
4344268
 
#21

eMolecules: 1624072, 46473297
Molport: MolPort-002-710-210
Scientific Exchange (make on demand): E-086907
BioBlocks: A2546/0108362
BioBlocks BB: ZERO/004986...21 total

ref: mol2, SDF, SMILES, flexibase
0.52,2.17,-39.77,3,4,1, 170.188, 4
19015194
 
#22

Molport: MolPort-016-580-511
Aldrich CPR: CDS001608|ALDRICH
Alfa-Aesar: H50946
Anward: ANW-56586
Ark Pharm Building Blocks: AK-27809...42 total

ref: mol2, SDF, SMILES, flexibase
0.71,3.47,-42.66,2,3,1, 178.259, 1

Similar to: 31992584, 31992586, 37038061, 37039481, 37039500, ... 12 in total.
19798499
 
#23

eMolecules: 6808027
Molport: MolPort-002-729-191
Scientific Exchange (make on demand): M-697321
AKOS: AKOS003663296
Aldrich CPR: TMT00384|ALDRICH...31 total

ref: mol2, SDF, SMILES, flexibase
0.33,2.47,-8.62,0,3,0, 235.125, 2

Similar to: 41716318,
13424560
 
#24

Asinex: BAS02785776
Chemical Block: A3122/0132175
TimTec Building Blocks: SBB013148
PubChem: 25766875
ref: mol2, SDF, SMILES, flexibase
2.59,5.4,-39.58,2,1,1, 174.695, 0

Similar to: 4127257, 4127259, 4127260,
269667
 
#25

eMolecules: 1398955, 36762832
AKOS: AKOS000601650
Asinex: BAS02785776
BioBlocks: A3122/0132175
BioBlocks BB: ZERO/005004...28 total

ref: mol2, SDF, SMILES, flexibase
2.59,-0.88,-34.91,2,1,1, 174.695, 0

Similar to: 4127257, 4127259, 4127260,
5611596
 
#26

eMolecules: 46473781, 2721440
Molport: MolPort-016-636-379, MolPort-002-727-553
A&J Pharmtech: AJ-02371
AKOS: AKOS001739916, AKOS015845287
Aldrich CPR: CDS019074|ALDRICH...53 total

ref: mol2, SDF, SMILES, flexibase
-1.23,-4.75,-41.32,4,4,1, 113.144, 1
1301190
 
#27

eMolecules: 2721487, 42638422
Molport: MolPort-002-729-430
BioBlocks: A3583/0152058
BioBlocks BB: ZERO/005205
ChemDiv BuildingBlocks: BB54-1357...21 total

ref: mol2, SDF, SMILES, flexibase
0.47,5.41,-46.68,0,7,-1, 247.234, 5

Similar to: 1301191,
4294607
 
#28

eMolecules: 847025
Scientific Exchange (make on demand): F-406116
AKOS: AKOS000308202
Alinda Building Blocks: ALBB-005587
BioBlocks: A3346/0142094...32 total

ref: mol2, SDF, SMILES, flexibase
-1.63,-0.8,-45.42,2,7,-1, 142.098, 2

Similar to: 31319659,
14987432
 
#29

Chemical Block: A4097/0174712
TimTec Building Blocks: SBB012876
PubChem: 26341979
ref: mol2, SDF, SMILES, flexibase
1.87,4.24,-5.57,0,5,0, 255.314, 4

Similar to: 16917039, 16917046, 36456054, 36459467, ... 8 in total.
18166834
 
#30

eMolecules: 1551314
AK Scientific: HTS003991
AKOS: AKOS000505698
Asinex: BAS13525144
Enamine Building Blocks: EN300-83643...32 total

ref: mol2, SDF, SMILES, flexibase
-0.54,5.92,-61.33,1,4,-1, 224.142, 1
lo: mol2, SDF, SMILES, flexibase
-0.54,3.91,-16.75,2,4,0, 225.15, 1

Similar to: 33979199, 34384081, 34433909, 34459254, 36449605, ... 10 in total.
18161775
 
#31

eMolecules: 627217
AK Scientific: HTS027783
AKOS: AKOS015922369, AKOS000271382
Asinex: BAS00989700
BioBlocks: A2185/0091871...37 total

ref: mol2, SDF, SMILES, flexibase
1.06,2.1,-10.74,4,5,0, 216.244, 2
3881715
 
#32

ChemMol: 2001075, 30100082, 97301129, 42305224, 30103805, 97600220
eMolecules: 488894
Molport: MolPort-001-560-349
Scientific Exchange (make on demand): H-036898, M-118325
Acorn PharmaTech: ACN-S002386...209 total

ref: mol2, SDF, SMILES, flexibase
-0.73,4.45,-37.95,2,3,0, 177.203, 1

Similar to: 34546469, 38416861, 38418810, 38418811, 41733821, ... 11 in total.
1296265
 
#33

eMolecules: 2721456
Molport: MolPort-002-727-558
BioBlocks: A3504/0148481
BioBlocks BB: ZERO/005171
ChemDiv BuildingBlocks: BB54-1327...22 total

ref: mol2, SDF, SMILES, flexibase
0.85,6.34,-46.38,0,7,-1, 261.261, 6

Similar to: 1296264,
17821066
 
#34

ChemMol: 44026802, 30106485
eMolecules: 16525297, 479007
Molport: MolPort-008-323-006, MolPort-001-770-156
Scientific Exchange (make on demand): Z-098448
Acros Organics: 15153...99 total

ref: mol2, SDF, SMILES, flexibase
2.73,4.13,-10.76,1,3,0, 173.171, 1
ref: mol2, SDF, SMILES, flexibase
2.06,4.35,-12.26,1,3,0, 173.171, 0
hi: mol2, SDF, SMILES, flexibase
2.06,5.59,-64.38,0,3,-1, 172.163, 0
hi: mol2, SDF, SMILES, flexibase
2.06,3.8,-54.15,0,3,-1, 172.163, 0

Similar to: 36374285, 8210099,
19798475
 
#35

eMolecules: 500029
Molport: MolPort-000-928-060
AKOS: AKOS001695975
Alfa-Aesar: B22928, 36697
Anward: ANW-46292...83 total

ref: mol2, SDF, SMILES, flexibase
-4.65,7.92,-213.25,1,10,-3, 343.312, 10
mid: mol2, SDF, SMILES, flexibase
-4.65,9.14,-124.39,2,10,-2, 344.32, 10

Similar to: 33801642, 33983695, 34223165, 34223167, 34354477, ... 14 in total.
19798474
 
#36

TimTec Building Blocks: SBB008916
ref: mol2, SDF, SMILES, flexibase
8.54,16.77,-2.05,0,2,0, 449.119, 7
19798473
 
#37

TimTec Building Blocks: SBB008916
ref: mol2, SDF, SMILES, flexibase
8.54,16.63,-1.9,0,2,0, 449.119, 7
19798472
 
#38

TimTec Building Blocks: SBB008904
ref: mol2, SDF, SMILES, flexibase
8.28,16.99,-4.86,0,2,0, 428.701, 7
19798466
 
#39

AK Scientific: W7626
Alfa-Aesar: B24743
Anward: ANW-45772
Ark Pharm Building Blocks: AK-88558
BePharm Building Blocks: B54646...33 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.46,-30.88,1,2,1, 143.254, 2
hi: mol2, SDF, SMILES, flexibase
0.99,1.07,-1.4,0,2,0, 142.246, 2

Similar to: 1706737,
19798459
 
#40

Molport: MolPort-002-501-961
Chembo Pharma: KB-10064
FineTech: FT-0606307
Fluorochem: 342196
Frinton: FR-2170...18 total

ref: mol2, SDF, SMILES, flexibase
1.18,5.37,-29.33,1,2,1, 145.27, 3
mid: mol2, SDF, SMILES, flexibase
1.18,4.01,-27.51,1,2,1, 145.27, 3

Similar to: 34384385, 39221837, 39221839, 39221841, ... 4 in total.
19798446
 
#41

AKOS: AKOS015856765
Chembo Pharma: KB-309633
Fluorochem: 342005
Frinton: FR-0983
Molport BB: MolPort-001-823-373...23 total

ref: mol2, SDF, SMILES, flexibase
-2.69,1.43,-72.29,7,8,0, 257.275, 5
mid: mol2, SDF, SMILES, flexibase
-2.69,1.46,-45.31,6,8,0, 256.267, 5
hi: mol2, SDF, SMILES, flexibase
-2.69,1.51,-49.81,6,8,-1, 256.267, 5
lo: mol2, SDF, SMILES, flexibase
-2.81,0.48,-60.69,7,8,0, 257.275, 4
lo: mol2, SDF, SMILES, flexibase
-2.81,1.29,-46.16,6,8,-1, 256.267, 4

Similar to: 6512503,
50500
 
#42

ChemMol: 30116181, 42302154, 97600528, 44020341, 44010200, 30111931
eMolecules: 36504824, 522858
Molport: MolPort-019-909-739, MolPort-002-501-535
Scientific Exchange (make on demand): POD_54/0448
A&J Pharmtech: AJ-00503...121 total

ref: mol2, SDF, SMILES, flexibase
-1.00,2.42,-42.74,3,4,0, 195.218, 4

Similar to: 2582503, 2586210, 2597543, 3678209, 34018948, ... 11 in total.
19804753
 
#43

ChemMol: 44012946
eMolecules: 724874
Scientific Exchange (make on demand): F-235850
Acros Organics: CC29313
AK Scientific: W9366...55 total

ref: mol2, SDF, SMILES, flexibase
0.77,1.6,-46.79,3,3,1, 207.297, 3

Similar to: 31934987, 36447494, 39244584,
8815977
 
#44

TimTec Building Blocks: SBB009950
ref: mol2, SDF, SMILES, flexibase
1.13,-5.85,-48.1,4,4,1, 321.138, 4

Similar to: 49942703,
1235133
 
#45

Molport: MolPort-001-794-882
AK Scientific: 8753AD
Alinda Building Blocks: ALBB-020901
Ark Pharm Building Blocks: AK130266
Bide Pharmatech BB: BD28217...36 total

ref: mol2, SDF, SMILES, flexibase
-0.27,0.72,-36.68,2,3,1, 132.183, 2

Similar to: 1235134, 34924710, 34924711, 34924712, 37998216, ... 8 in total.
12359923
 
#46

ChemMol: 30104391, 1030382, 97800257, 1201616, 44003940
Molport: MolPort-002-506-982
TCM Database @ Taiwan: tcm03_008670
Acorn PharmaTech: ACN-S003604
Acros Organics: 14057...107 total

ref: mol2, SDF, SMILES, flexibase
0.29,4.52,-40.92,1,2,1, 140.206, 0

Similar to: 12403016, 17060406, 33829277, 33829301, 33829302, ... 12 in total.
531757
 
#47

eMolecules: 2312748, 655283
Molport: MolPort-002-124-301
Scientific Exchange (make on demand): T-057865
AKOS: AKOS000581554, AKOS000348244
Aldrich CPR: R605352|ALDRICH...49 total

ref: mol2, SDF, SMILES, flexibase
3.53,9.7,-48.34,0,5,-1, 326.401, 5
mid: mol2, SDF, SMILES, flexibase
2.80,9.67,-12.29,1,5,0, 327.409, 5

Similar to: 9927977,
12411316
 
#48

eMolecules: 2723065
Molport: MolPort-002-747-039
BioBlocks: A4197/0178704
BioBlocks BB: ZERO/008614
ChemDiv BuildingBlocks: BB54-3022...15 total

ref: mol2, SDF, SMILES, flexibase
1.77,-1.88,-7.99,0,6,0, 253.283, 5
19685437
 
#49

eMolecules: 724964
Scientific Exchange (make on demand): F-367116
Acros Organics: MO01187
AK Scientific: 9137AB
Aldrich CPR: CBR01946|ALDRICH...46 total

ref: mol2, SDF, SMILES, flexibase
0.41,-1.43,-40.47,3,3,1, 159.253, 2
158393
 
#50

ChemMol: 30112000, 44003726
eMolecules: 726871
Acorn PharmaTech: ACN-S001635
ACT Chemical BB: ACT05241
AK Scientific: U608...66 total

ref: mol2, SDF, SMILES, flexibase
0.39,4.42,-42.26,1,2,1, 128.195, 0

Similar to: 1296023, 1296024, 1296026, 1721942, 2145025, ... 11 in total.
63276
 
#51

eMolecules: 630294
Scientific Exchange (make on demand): Z-028539
AKOS: AKOS000264287
Alfa-Aesar: H66902
Alinda Building Blocks: ALBB-027365...73 total

ref: mol2, SDF, SMILES, flexibase
-0.12,4.72,-48.47,0,5,-1, 268.314, 3

Similar to: 38286678, 38286679, 39026680,
19735611
 
#52

eMolecules: 833843, 851458
Molport: MolPort-000-870-653
AKOS: AKOS000140319, AKOS000270542
Asinex: BAS07750338
Asinex Building Blocks: BAS07750338...53 total

ref: mol2, SDF, SMILES, flexibase
1.69,2.79,-44.18,1,6,-1, 231.187, 2

Similar to: 4243857,
2538842
 
#53

eMolecules: 853920, 46471836
Molport: MolPort-000-892-020
AKOS: AKOS000261284
Asinex Building Blocks: BAS13528991
Fluorochem: 059978...25 total

ref: mol2, SDF, SMILES, flexibase
2.33,-2.63,-40.76,3,2,1, 205.325, 2

Similar to: 34822996, 34822997, 34822999, 34823000, 34823348, ... 22 in total.
19688349
 
#54

ChemMol: 42304264
Molport: MolPort-000-887-483
Scientific Exchange (make on demand): F-331419
AK Scientific: 5102AE, X9698
AKOS: AKOS015845097...86 total

ref: mol2, SDF, SMILES, flexibase
0.28,0.91,-40.81,3,2,1, 143.254, 1
mid: mol2, SDF, SMILES, flexibase
0.28,2.79,-29.39,3,2,1, 143.254, 1
hi: mol2, SDF, SMILES, flexibase
4.11,7.5,-5.51,0,1,0, 297.139, 0
19230053
 
#55

ChemMol: 44026520, 97804970, 44012901
Scientific Exchange (make on demand): M-316767
AKOS: AKOS000118621
Alfa-Aesar: H55409
Alinda Building Blocks: ALBB-000380...76 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.97,-39.85,2,2,1, 211.716, 2
hi: mol2, SDF, SMILES, flexibase
1.69,2.55,-2.83,1,2,0, 210.708, 2

Similar to: 19726907, 19933499, 32121417, 32133942, 33825518, ... 8 in total.
19781718
 
#56

Molport: MolPort-002-173-172
Scientific Exchange (make on demand): E-023130
ACB Blocks: BHZ-0047
AKOS: AKOS003652073
Alinda Building Blocks: ALBB-012129...73 total

ref: mol2, SDF, SMILES, flexibase
0.67,2.73,-46.61,2,5,1, 267.349, 5

Similar to: 19852217, 34525619,
12368710
 
#57

eMolecules: 25815301
Molport: MolPort-001-531-949
Scientific Exchange: H-095679
AKOS: AKOS000671184
Alinda: IBS-L0032786...27 total

ref: mol2, SDF, SMILES, flexibase
1.25,5.29,-10.13,1,5,0, 228.207, 2

Similar to: 36467805, 39349006,
19419111
 
#58

ChemMol: 80100887, 2200880
eMolecules: 529295
Molport: MolPort-001-793-067, MolPort-003-938-647, MolPort-023-220-323
Scientific Exchange (make on demand): X-048341
Acros Organics: 27414...150 total

ref: mol2, SDF, SMILES, flexibase
-2.73,-3.23,-40.85,0,5,-1, 194.232, 3

Similar to: 31977058, 31977059, 5848171,
19418960
 
#59

ChemMol: 97806256, 30117396
eMolecules: 712152
Molport: MolPort-020-006-091
Acros Organics: 32766, 17263, 35259
ACT Chemical BB: ACT07392...135 total

ref: mol2, SDF, SMILES, flexibase
-2.46,-2.57,-42.55,0,5,-1, 208.259, 4

Similar to: 1720084, 5159159,
19364835
 
#60

ChemMol: 44007306, 30117394
eMolecules: 531009
Molport: MolPort-019-857-848, MolPort-016-582-778
Scientific Exchange (make on demand): F-442233
Acros Organics: 21509...125 total

ref: mol2, SDF, SMILES, flexibase
-4.95,-4.19,-78.66,1,8,-1, 301.366, 6
hi: mol2, SDF, SMILES, flexibase
-4.95,-6.46,-87.28,0,8,-2, 300.358, 6

Similar to: 33807841, 34368833, 34936425,
19202636
 
#61

eMolecules: 500029
Molport: MolPort-000-928-060
AKOS: AKOS001695975
Alfa-Aesar: 36697
Anward: ANW-46292...79 total

ref: mol2, SDF, SMILES, flexibase
-4.65,5.49,-187.95,1,10,-3, 343.312, 10

Similar to: 33801642, 33983695, 34223165, 34223167, 34354477, ... 14 in total.
19202633
 
#62

ChemMol: 30109416
eMolecules: 500029
Molport: MolPort-000-928-060
Acros Organics: 15500
AK Scientific: Z1846...124 total

ref: mol2, SDF, SMILES, flexibase
-4.65,9.12,-211.82,1,10,-3, 343.312, 10
mid: mol2, SDF, SMILES, flexibase
-4.65,8.56,-122.23,2,10,-2, 344.32, 10

Similar to: 33801642, 33983695, 34223165, 34223167, 34354477, ... 14 in total.
18030581
 
#63

ChemMol: 30105585
eMolecules: 27271648
Molport: MolPort-002-131-675
Acros Organics: 15151
Alfa-Aesar: A12232...40 total

ref: mol2, SDF, SMILES, flexibase
3.32,0.7,-9.08,2,7,0, 259.221, 3
ref: mol2, SDF, SMILES, flexibase
3.32,1.92,-9.56,2,7,0, 259.221, 3
ref: mol2, SDF, SMILES, flexibase
2.39,5.07,-39.44,1,7,-1, 258.213, 3
ref: mol2, SDF, SMILES, flexibase
2.39,4.76,-50.55,1,7,-1, 258.213, 3
hi: mol2, SDF, SMILES, flexibase
3.32,2.69,-36.28,1,7,-1, 258.213, 3
hi: mol2, SDF, SMILES, flexibase
3.32,1.47,-36.78,1,7,-1, 258.213, 3
19364242
 
#64

ChemMol: 1202961, 30100578, 44024981
eMolecules: 475504
Enolase via KEGG (EFI): C00284_1
Molport: MolPort-023-220-245, MolPort-019-707-772, MolPort-004-963-447, MolPort-016-582-608
Acros Organics: 30160...1485 total

ref: mol2, SDF, SMILES, flexibase
-5.19,5.16,-173.62,1,10,-3, 289.22, 11
mid: mol2, SDF, SMILES, flexibase
-5.19,7.16,-108,2,10,-2, 290.228, 11

Similar to: 33794544, 33802091, 34627080, 38542071, ... 4 in total.
19230153
 
#65

Molport: MolPort-001-759-937
Acros Organics: 12061, 23289
Aldrich CPR: S576298|ALDRICH
Alfa-Aesar: 36462, A17213
Anward: ANW-73975...42 total

ref: mol2, SDF, SMILES, flexibase
-0.06,-1.41,-32.88,1,4,1, 141.198, 0
hi: mol2, SDF, SMILES, flexibase
-0.06,-3.95,-0.99,0,4,0, 140.19, 0

Similar to: 39242267,
19419017
 
#66

ChemMol: 44007574, 30109082, 44033206
eMolecules: 497513
Molport: MolPort-002-324-582
Acros Organics: 40729, 11432
AK Scientific: P073...384 total

ref: mol2, SDF, SMILES, flexibase
-5.60,3.41,-184.13,2,13,-3, 390.325, 16
mid: mol2, SDF, SMILES, flexibase
-5.60,7.93,-175.55,2,13,-3, 390.325, 16
lo: mol2, SDF, SMILES, flexibase
-5.60,7.81,-199.09,2,13,-3, 390.325, 16

Similar to: 31477205, 33794544, 33802091, 34033067, 34635359, ... 5 in total.
19321200
 
#67

eMolecules: 492309
Molport: MolPort-002-501-975
AKOS: AKOS015850873
Anward: ANW-15975
Ark Pharm Building Blocks: AK115762...48 total

ref: mol2, SDF, SMILES, flexibase
0.23,-1.88,-3.48,0,3,0, 129.207, 0

Similar to: 33801695,
19691768
 
#68

eMolecules: 4352142
Molport: MolPort-002-501-963
Scientific Exchange (make on demand): F-393989
AK Scientific: 8130AA
Alinda Building Blocks: ALBB-024984...34 total

ref: mol2, SDF, SMILES, flexibase
1.13,0.35,-8.04,2,5,0, 155.109, 1

Similar to: 1723487, 5161671,
17991503
 
#69

eMolecules: 506349
Molport: MolPort-001-762-422
AKOS: AKOS001483395
Alfa-Aesar: H29176
Ark Pharm Building Blocks: AK157870...44 total

ref: mol2, SDF, SMILES, flexibase
2.82,8.14,-19.2,1,3,0, 240.258, 4
mid: mol2, SDF, SMILES, flexibase
2.82,9.15,-66.18,0,3,-1, 239.25, 4
mid: mol2, SDF, SMILES, flexibase
4.01,7,-59.24,1,3,-1, 239.25, 3

Similar to: 34482391,
18210972
 
#70

Molport: MolPort-001-789-855
AKOS: AKOS004908273
Anward: ANW-21606
BioBlocks: A4188/0178475
Chembo Pharma: KB-71763...31 total

ref: mol2, SDF, SMILES, flexibase
3.93,5.1,-12.11,0,5,0, 258.277, 4

Similar to: 6116048,
6783737
 
#71

ChemMol: 44027819, 30115898, 83601857
eMolecules: 17720529, 31206239
Molport: MolPort-006-115-744
ACT Chemical BB: ACT08027
AK Scientific: P638...62 total

ref: mol2, SDF, SMILES, flexibase
-0.04,2,-36.53,0,5,-1, 141.106, 3

Similar to: 18204413, 33940358,
19795653
 
#72

eMolecules: 522061
Molport: MolPort-016-579-155
AKOS: AKOS002364198, AKOS015846405
Alfa-Aesar: H27631
AZEPINE: AZ0001-0488...46 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.55,-5.17,0,2,0, 160.22, 2

Similar to: 26515607, 26515609, 38258441, 38258443, ... 4 in total.
19795651
 
#73

eMolecules: 522061
Molport: MolPort-016-579-155
AKOS: AKOS002364198, AKOS015846405
Alfa-Aesar: H27631
AZEPINE: AZ0001-0488...45 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.55,-5.15,0,2,0, 160.22, 2

Similar to: 26515607, 26515609, 38258441, 38258443, ... 4 in total.
18128138
 
#74

Molport: MolPort-002-501-601
AKOS: AKOS015855297
FineTech: FT-0606866
Fluorochem: 341729
Frinton: FR-0133...16 total

ref: mol2, SDF, SMILES, flexibase
-2.86,-5.66,-12.35,4,10,0, 238.152, 2

Similar to: 34622768, 34622770, 34622772, 34622774, ... 5 in total.
18067210
 
#75

Molport: MolPort-002-501-601
AKOS: AKOS015855297
FineTech: FT-0606866
Fluorochem: 341729
Frinton: FR-0133...16 total

ref: mol2, SDF, SMILES, flexibase
-2.86,-5.61,-15.88,4,10,0, 238.152, 2
hi: mol2, SDF, SMILES, flexibase
-3.06,-3.58,-34.29,4,10,-1, 237.144, 1
hi: mol2, SDF, SMILES, flexibase
-3.25,-4.87,-94.01,4,10,-2, 236.136, 0

Similar to: 34622768, 34622770, 34622772, 34622774, ... 5 in total.
1594134
 
#76

American Custom Chemicals Corp.: CHM0164377
Mcule: MCULE-5632103129
NCI Plated 2007: 401471
TimTec Building Blocks: SBB007620
ChemDB: 5780019...10 total

ref: mol2, SDF, SMILES, flexibase
2.08,1.77,-53.33,0,4,-1, 233.243, 5

Similar to: 35874726, 39123066, 39240439,
39735
 
#77

eMolecules: 13758637
Molport: MolPort-003-739-732
Scientific Exchange (make on demand): F-337774
AK Scientific: 6437AE
Aldrich CPR: R228745|ALDRICH...41 total

ref: mol2, SDF, SMILES, flexibase
-1.28,0.26,-61.17,0,4,-1, 170.188, 2

Similar to: 39736, 33968495, 34397631, 36473011, 39340622, ... 8 in total.
395499
 
#78

eMolecules: 503446
Scientific Exchange (make on demand): H-037112
Acros Organics: SB01351
AKOS: AKOS001309882, AKOS003275008
Aldrich CPR: PH000068|ALDRICH...55 total

ref: mol2, SDF, SMILES, flexibase
3.61,-1.34,-10.32,1,2,0, 253.326, 2

Similar to: 20593972,
86626
 
#79

ChemMol: 44021443, 30100213, 96700293, 44009478, 1033407
eMolecules: 5782423, 481256, 32263407, 5421578
Molport: MolPort-002-915-720, MolPort-000-873-076
Scientific Exchange (make on demand): POD_75/0621, R-063600
AK Scientific: Y3247...159 total

ref: mol2, SDF, SMILES, flexibase
0.66,3.82,-21.88,1,2,0, 140.211, 0
19230124
 
#80

ChemMol: 83602358, 44007923
Molport: MolPort-001-769-719
Acros Organics: 11620
AK Scientific: U645
Alfa-Aesar: B20182...107 total

ref: mol2, SDF, SMILES, flexibase
-0.85,-1.65,-40.18,3,2,1, 89.162, 2
hi: mol2, SDF, SMILES, flexibase
-0.85,0.43,-30.97,3,2,1, 89.162, 2
hi: mol2, SDF, SMILES, flexibase
-0.85,-2.04,-1.47,2,2,0, 88.154, 2
19735711
 
#81

eMolecules: 1522457
Molport: MolPort-002-017-453
Ark Pharm Building Blocks: AK-99111
Asinex: BAS10143608
Asinex Building Blocks: BAS10143608...37 total

ref: mol2, SDF, SMILES, flexibase
1.35,2.97,-42.74,3,2,1, 191.298, 3
hi: mol2, SDF, SMILES, flexibase
1.35,5.04,-34.94,3,2,1, 191.298, 3
19735710
 
#82

eMolecules: 1522457
Molport: MolPort-002-017-453
Ark Pharm Building Blocks: AK-99111
Asinex: BAS10143608
Asinex Building Blocks: BAS10143608...37 total

ref: mol2, SDF, SMILES, flexibase
1.35,3,-42.97,3,2,1, 191.298, 3
hi: mol2, SDF, SMILES, flexibase
1.35,4.97,-35.08,3,2,1, 191.298, 3
19721594
 
#83

ChemMol: 44034571
eMolecules: 1502140
Scientific Exchange (make on demand): M-505394
ACB Blocks: ARP-0001
AK Scientific: W8678...83 total

ref: mol2, SDF, SMILES, flexibase
2.23,6.55,-92.88,3,3,2, 249.745, 1
hi: mol2, SDF, SMILES, flexibase
2.23,5.08,-31.3,2,3,1, 248.737, 1

Similar to: 19881745, 20031309, 22789609, 27436890, 32195453, ... 10 in total.
4240807
 
#84

ChemMol: 30100203, 97601258
eMolecules: 1293234
ACB Blocks: BAA-0099
Acorn PharmaTech: ACN-S001803
AK Scientific: 1415AC...65 total

ref: mol2, SDF, SMILES, flexibase
-1.80,-1.4,-39.77,3,4,0, 155.153, 3

Similar to: 26515742, 26515744, 44197893,
4240798
 
#85

ChemMol: 30100203, 97601253
eMolecules: 1293234
ACB Blocks: BAA-0099
Acorn PharmaTech: ACN-S001803
AK Scientific: HTS001813...70 total

ref: mol2, SDF, SMILES, flexibase
-1.80,-1.4,-39.76,3,4,0, 155.153, 3

Similar to: 4240807, 26515742, 26515744, 44197893, ... 4 in total.
19366248
 
#86

ChemMol: 2100418
eMolecules: 861275
AKOS: AKOS000201165
Alfa-Aesar: L04876
Alinda Building Blocks: ALBB-006065...62 total

ref: mol2, SDF, SMILES, flexibase
-0.69,1.02,-86.62,4,3,2, 159.277, 3
mid: mol2, SDF, SMILES, flexibase
-0.69,0.91,-102.9,4,3,2, 159.277, 3
mid: mol2, SDF, SMILES, flexibase
-0.69,-1.36,-42.48,3,3,1, 158.269, 3

Similar to: 19933683, 34478996, 34960291, 36731787, 37037850, ... 5 in total.
17744471
 
#87

eMolecules: 628913, 1753950
Scientific Exchange: T-098937
Scientific Exchange (make on demand): K-095547
AKOS: AKOS000267426, AKOS002348554
Aldrich CPR: R413496|ALDRICH...75 total

ref: mol2, SDF, SMILES, flexibase
0.67,3.11,-54.44,1,5,-1, 217.204, 3

Similar to: 31840809,
19230104
 
#88

ChemMol: 97801300, 83603311, 30110762, 44013294
Scientific Exchange (make on demand): F-441466
Acorn PharmaTech: ACN-S003623, ACN-S002545
Acros Organics: 36711
AK Scientific: X2986...85 total

ref: mol2, SDF, SMILES, flexibase
-0.38,-0.25,-37.4,2,3,1, 145.226, 3
hi: mol2, SDF, SMILES, flexibase
-0.38,-1.58,-3.04,1,3,0, 144.218, 3

Similar to: 37039573, 39120724,
19735215
 
#89

ChemMol: 1036344
eMolecules: 854502
AK Scientific: 3345AE
AKOS: AKOS000264939
Aldrich CPR: CDS006110|ALDRICH...68 total

ref: mol2, SDF, SMILES, flexibase
0.85,2.16,-36.17,2,2,1, 143.254, 2
lo: mol2, SDF, SMILES, flexibase
0.85,2.72,-27.73,2,2,1, 143.254, 2

Similar to: 36788582, 36789310, 37109523, 37110424, 37110426, ... 15 in total.
19735214
 
#90

ChemMol: 1036344
eMolecules: 854502
AK Scientific: 3345AE
AKOS: AKOS000264939
Aldrich CPR: CDS006110|ALDRICH...66 total

ref: mol2, SDF, SMILES, flexibase
0.85,2.12,-36.13,2,2,1, 143.254, 2
lo: mol2, SDF, SMILES, flexibase
0.85,2.72,-27.69,2,2,1, 143.254, 2

Similar to: 36788582, 36789310, 37109523, 37110424, 37110426, ... 15 in total.
19735227
 
#91

eMolecules: 854486, 46469010
Molport: MolPort-000-892-165
Scientific Exchange (make on demand): F-436845
AK Scientific: 4019AD
AKOS: AKOS000300106...33 total

ref: mol2, SDF, SMILES, flexibase
1.33,2.87,-41.95,2,3,1, 201.334, 7

Similar to: 37854735, 37854736, 37859693, 37859694, 43445446, ... 5 in total.
19702283
 
#92

ChemMol: 44026529
eMolecules: 5759685, 816134
Molport: MolPort-003-991-038
Scientific Exchange: R-099783
Scientific Exchange Building Blocks: R-099783...65 total

ref: mol2, SDF, SMILES, flexibase
0.94,2.79,-38.42,2,2,1, 183.3, 2
hi: mol2, SDF, SMILES, flexibase
0.94,1.44,-2.83,1,2,0, 182.292, 2

Similar to: 19933483, 37116252,
12401392
 
#93

TimTec Building Blocks: SBB008904
Bovine Metabolome: BMDB03822
Food Database: FDB023229
HMDB Endogenous: HMDB03822
HMDB Food: HMDB03822...9 total

ref: mol2, SDF, SMILES, flexibase
8.28,16.44,-4.33,0,2,0, 428.701, 7

Similar to: 33848395, 33848396, 4831492, 4831493, 4831494, ... 15 in total.
18161790
 
#94

eMolecules: 526557, 706851
ACB Blocks: CAP-0243
Acorn PharmaTech: ACN-P001038
AK Scientific: HTS000459
AKOS: AKOS000271358...93 total

ref: mol2, SDF, SMILES, flexibase
0.72,2.66,-43.31,1,4,-1, 151.145, 2

Similar to: 44242604,
18161785
 
#95

ChemMol: 80101090, 44021891, 42301717, 97805263
eMolecules: 830836, 707652
Scientific Exchange (make on demand): F-405696
ACB Blocks: CAP-0057
Acros Organics: CC43501...98 total

ref: mol2, SDF, SMILES, flexibase
1.59,4.26,-42.64,1,4,-1, 193.207, 2

Similar to: 3880850,
18217597
 
#96

ChemMol: 44012958, 97805261, 42301711
eMolecules: 835333, 707754
ACB Blocks: CAP-0048
Acros Organics: CC35001
AK Scientific: HTS004637...88 total

ref: mol2, SDF, SMILES, flexibase
0.95,3.25,-43.21,1,5,-1, 177.139, 2
19358638
 
#97

ChemMol: 30111372, 44013431
Molport: MolPort-003-938-319
Scientific Exchange (make on demand): M-146496
Scientific Exchange Building Blocks: M-101276
AK Scientific: N738...130 total

ref: mol2, SDF, SMILES, flexibase
0.87,2.82,-43.8,2,5,1, 267.349, 5
hi: mol2, SDF, SMILES, flexibase
0.87,1.46,-7.3,1,5,0, 266.341, 5

Similar to: 34525627,
19552447
 
#98

Molport: MolPort-002-173-948
Scientific Exchange (make on demand): E-023394
Scientific Exchange Building Blocks: T-097455
AK Scientific: 0173AD
AKOS: AKOS003652631...45 total

ref: mol2, SDF, SMILES, flexibase
1.08,2.53,-40.97,2,4,1, 237.323, 4
hi: mol2, SDF, SMILES, flexibase
1.08,1.12,-5.57,1,4,0, 236.315, 4

Similar to: 19900915, 25363986, 32107653, 32114655, 32114656, ... 5 in total.
19735430
 
#99

eMolecules: 5759992, 33655077, 838242
Molport: MolPort-003-991-175, MolPort-001-519-440
Scientific Exchange: E-023347
Scientific Exchange (make on demand): T-097413
AK Scientific: 0529AD...61 total

ref: mol2, SDF, SMILES, flexibase
0.30,1.79,-41.73,2,3,1, 167.232, 2
hi: mol2, SDF, SMILES, flexibase
0.30,0.37,-4.16,1,3,0, 166.224, 2

Similar to: 19852381, 39318896,
19268506
 
#100

Molport: MolPort-008-383-020, MolPort-000-886-252
Scientific Exchange Building Blocks: M-316773
AK Scientific: 8034AB
Aldrich CPR: CDS018339|ALDRICH
Alinda Building Blocks: ALBB-000375...66 total

ref: mol2, SDF, SMILES, flexibase
1.07,2.92,-38.95,2,3,1, 207.297, 3
hi: mol2, SDF, SMILES, flexibase
1.07,1.56,-4.08,1,3,0, 206.289, 3

Similar to: 19933504, 32118264, 32128419, 33825050, 39318901, ... 7 in total.

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 = 328 ) limit 0,100

Smiles were