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
4257961
 
#1

Aromalake BB: LS41169
Capot Chemical: 23813
Chembo Pharma: KB-41209
ChemDiv: 0096-0105
NCI Plated 2007: 141851...58 total

ref: mol2, SDF, SMILES, flexibase
-1.00,-2.24,-7.55,2,8,0, 138.094, 1
ref: mol2, SDF, SMILES, flexibase
-1.00,-2.1,-6.33,2,8,0, 138.094, 1
lo: mol2, SDF, SMILES, flexibase
-1.00,-2.4,-36.54,1,8,-1, 137.086, 1
lo: mol2, SDF, SMILES, flexibase
-1.00,-2.25,-30.18,1,8,-1, 137.086, 1
95950583
 
#2

Aromalake BB: LS41166
ref: mol2, SDF, SMILES, flexibase
4.51,11.93,-10.86,0,4,0, 322.408, 6
95929247
 
#3

Ark Pharm Building Blocks: AK-60161
Aromalake BB: LS30308
Bide Pharmatech BB: BD48773
BOC Sciences BB: 159706-87-3
Chembo Pharma: KB-211539...7 total

34178161
 
#4

Aromalake BB: LS40843
SureChEMBL: SCHEMBL2884231
ref: mol2, SDF, SMILES, flexibase
8.78,12.28,-11.33,3,6,0, 534.693, 15
87493112
 
#5

eMolecules: 476660, 1012711, 25765331
Molport: MolPort-001-761-289, MolPort-001-769-432
Acros Organics: 14615, 38289
AK Scientific: V0133, 9403AB, 6605AA
AKOS: AKOS000100795...85 total

95950582
 
#6

Aromalake BB: LS40610
SureChEMBL: SCHEMBL3546089, SCHEMBL2070160
ref: mol2, SDF, SMILES, flexibase
2.65,2.15,-6.61,1,4,0, 187.239, 3
95950581
 
#7

Aromalake BB: LS40560
ref: mol2, SDF, SMILES, flexibase
-3.42,-5.42,-41.85,4,8,0, 257.264, 8
hi: mol2, SDF, SMILES, flexibase
-3.42,-6.66,-53.89,3,8,-1, 256.256, 8
54967471
 
#8

Angene Building Blocks: AGN-PC-0JQA7Y
Anward: ANW-50972
Ark Pharm Building Blocks: AK-23801
Aromalake BB: LS40557
BePharm Building Blocks: B22110...19 total

1036713
 
#9

eMolecules: 880470
AK Scientific: X2987
Anward: ANW-24837
APIChem: AC-13698
Ark Pharm Building Blocks: AK-81854...30 total

91243646
 
#10

Alfa-Aesar: H64537
Aromalake BB: LS40213
Molport BB: MolPort-003-991-767
Ryan Scientific BB: 074-55534, 048-06064
Tractus: TRA0095357...10 total

154522
 
#11

ChemMol: 30107483
AKOS: AKOS015837993
Alfa-Aesar: B20851
Angene Building Blocks: AGN-PC-0O39VO
Anward: ANW-21005...48 total

ref: mol2, SDF, SMILES, flexibase
-1.00,-0.04,-29.48,2,5,0, 153.141, 1
ref: mol2, SDF, SMILES, flexibase
-0.54,-2,-64.42,1,5,-1, 152.133, 1
hi: mol2, SDF, SMILES, flexibase
-1.00,-0.7,-23.4,2,5,0, 153.141, 1
52986906
 
#12

Enolase via KEGG (EFI): C03283_2
Scientific Exchange (make on demand): F-441608
AK Scientific: 3213AB, 1360AC, W7673, V1165, X3169
Alfa-Aesar: A15408, L10093
Alinda Building Blocks: ALBB-025018...135 total

hi: mol2, SDF, SMILES, flexibase
2.50,6.11,-84.93,6,7,2, 475.637, 8
40448833
 
#13

Aromalake BB: LS40048
Molport BB: MolPort-009-198-393
Novochemy Building Blocks: NC-5933
StruChem BB make-on-demand: SC-47869
Bide Pharmatech BB (Depleted): BD158198...7 total

ref: mol2, SDF, SMILES, flexibase
1.43,5.88,-61.92,3,6,1, 369.85, 6
mid: mol2, SDF, SMILES, flexibase
1.43,5.56,-14.51,2,6,0, 368.842, 6

Similar to: 22048217,
86005665
 
#14

ACT Chemical BB: ACT08023
Aldrich CPR: CDS008152|ALDRICH
Angene Building Blocks: AGN-PC-0NHO8Q
Apexmol Building Blocks: AM20100128
Ark Pharm Building Blocks: AK-27545...30 total

87612233
 
#15

AK Scientific: W6439
Apexmol Building Blocks: AM85470
Ark Pharm Building Blocks: AK-59729, AK-29283, AK110539, AK-77754
Aromalake BB: LS30281
BePharm Building Blocks: B217114...40 total

95950580
 
#16

Aromalake BB: LS30280
SureChEMBL: SCHEMBL284183
ref: mol2, SDF, SMILES, flexibase
5.32,9.71,-4.99,1,3,0, 437.355, 6
mid: mol2, SDF, SMILES, flexibase
5.32,10.9,-48.83,2,3,1, 438.363, 6
95950579
 
#17

Aromalake BB: LS30279
ref: mol2, SDF, SMILES, flexibase
4.54,11.89,-12.86,0,4,0, 447.375, 7
89224316
 
#18

AK Scientific: 0283AB, Z3113, Y0384
Apexmol Building Blocks: AM84603
Ark Pharm Building Blocks: AK-93502, AK102292
Aromalake BB: LS30277
Bide Pharmatech BB: BD233831...23 total

hi: mol2, SDF, SMILES, flexibase
2.33,4.39,-3.59,1,1,0, 182.288, 1
84317010
 
#19

Acros Organics: 12747, 35626
Alfa-Aesar: L20075, B24405, L14429
Angene Building Blocks: AGN-PC-0OHJ5C, AGN-PC-0JL6YH
Anward: ANW-16014, ANW-36536
Apexmol Building Blocks: AM20080043...68 total

hi: mol2, SDF, SMILES, flexibase
-0.28,-0.62,-33.47,3,2,1, 101.173, 0
84317009
 
#20

Acros Organics: 12747, 35627
AK Scientific: X3043
Alfa-Aesar: B24405, B22366, L20074
Angene Building Blocks: AGN-PC-0OHM9X, AGN-PC-0JL6YH
Anward: ANW-16014...65 total

hi: mol2, SDF, SMILES, flexibase
-0.28,-0.61,-32.58,3,2,1, 101.173, 0
95757434
 
#21

ACT Chemical BB: ACT04867
AK Scientific: I079
Ark Pharm Building Blocks: AK-50695, AK-78815
Aromalake BB: LS30169
Boerchem Pharmatech BB: BC209441...27 total

31829396
 
#22

Alfa-Aesar: H62490
American Custom Chemicals Corp.: AAA0004784
Anward: ANW-41657
APIChem: AC-8641
Ark Pharm Building Blocks: AK136097...29 total

ref: mol2, SDF, SMILES, flexibase
0.12,1.95,-41.11,3,3,1, 132.183, 3
mid: mol2, SDF, SMILES, flexibase
0.12,1.63,-5.25,2,3,0, 131.175, 3

Similar to: 36378008, 4831021, 4831022,
84400882
 
#23

ACT Chemical BB: ACT02839
AK Scientific: 8360AB
Alfa-Aesar: L12968
Angene Building Blocks: AGN-PC-0O8P9E
Anward: ANW-26711...52 total

91684259
 
#24

Acros Organics: 29468
ACT Chemical BB: ACT02735
AK Scientific: 8360AB
Alfa-Aesar: L09558
Apexmol Building Blocks: AM81439...41 total

35051065
 
#25

AK Scientific: Z4486, I049
Aldrich CPR: S783250|ALDRICH
Alfa-Aesar: H62242, H50295
American Custom Chemicals Corp.: AAA0004221
Angene Building Blocks: AGN-PC-0Q8XU7...48 total

95544157
 
#26

eMolecules: 1061194, 525836
AK Scientific: H348
Alfa-Aesar: A12197
Alinda: IBS-L0216394
Angene Building Blocks: AGN-PC-0OBCLT...62 total

331852
 
#27

eMolecules: 478120
Acros Organics: 14810
Alfa-Aesar: A14887
Anward: ANW-21336
Apexmol Building Blocks: AM20061674...53 total

ref: mol2, SDF, SMILES, flexibase
0.73,3.51,-47.46,0,5,-1, 139.09, 1
mid: mol2, SDF, SMILES, flexibase
0.73,2.54,-14.92,1,5,0, 140.098, 1
lo: mol2, SDF, SMILES, flexibase
0.73,2.76,-43.8,2,5,1, 141.106, 1
lo: mol2, SDF, SMILES, flexibase
0.73,3.82,-36.6,1,5,0, 140.098, 1

Similar to: 39123517,
95079083
 
#28

ACT Chemical BB: ACT09099
AK Scientific: W3725
Alfa-Aesar: H64380
Angene Building Blocks: AGN-PC-0O4TWM
Apexmol Building Blocks: AM20050873...25 total

95731219
 
#29

eMolecules: 10585160, 492408
Acros Organics: AC10403, 25139
AK Scientific: Y9034, H582
Alfa-Aesar: L19108
Angene Building Blocks: AGN-PC-0JLT6R...35 total

32575051
 
#30

eMolecules: 526889
Acros Organics: 35942
Alfa-Aesar: H26924
American Custom Chemicals Corp.: CCH0000662
Angene Building Blocks: AGN-PC-07Y4QV...49 total

ref: mol2, SDF, SMILES, flexibase
1.57,6.07,-115.05,3,2,2, 178.279, 1
mid: mol2, SDF, SMILES, flexibase
1.57,3.67,-35.87,2,2,1, 177.271, 1
mid: mol2, SDF, SMILES, flexibase
1.57,4.92,-33.55,2,2,1, 177.271, 1
hi: mol2, SDF, SMILES, flexibase
1.57,2.54,-2.16,1,2,0, 176.263, 1

Similar to: 34577464, 34577465, 34679225, 34689299, 36882445, ... 15 in total.
32575052
 
#31

eMolecules: 526889
Acros Organics: 35942
Alfa-Aesar: H26924
Angene Building Blocks: AGN-PC-07Y4QV
Anward: ANW-31522...46 total

ref: mol2, SDF, SMILES, flexibase
1.57,6.07,-115.07,3,2,2, 178.279, 1
mid: mol2, SDF, SMILES, flexibase
1.57,3.67,-35.89,2,2,1, 177.271, 1
mid: mol2, SDF, SMILES, flexibase
1.57,4.75,-34.97,2,2,1, 177.271, 1
hi: mol2, SDF, SMILES, flexibase
1.57,2.37,-2.37,1,2,0, 176.263, 1

Similar to: 34679225, 34689299, 36882445, 36882446, 38294779, ... 13 in total.
18205448
 
#32

ChemMol: 44004949, 30105961
eMolecules: 531485, 4384702
Molport: MolPort-002-134-752, MolPort-002-544-093
Aldrich CPR: S459070|ALDRICH
Alfa-Aesar: H56373...58 total

ref: mol2, SDF, SMILES, flexibase
0.32,3.84,-40.15,2,4,-1, 183.241, 0
ref: mol2, SDF, SMILES, flexibase
0.32,3.81,-41.33,2,4,-1, 183.241, 0
ref: mol2, SDF, SMILES, flexibase
0.32,3.75,-39.87,2,4,-1, 183.241, 0
mid: mol2, SDF, SMILES, flexibase
0.33,3.86,-40.81,2,4,-1, 183.241, 0
hi: mol2, SDF, SMILES, flexibase
1.05,3.45,-88.68,1,4,-2, 182.233, 0
95670834
 
#33

Molport: MolPort-002-472-925
ACT Chemical BB: ACT04603
AK Scientific: I204
Aldrich CPR: CDS003419|ALDRICH
Alfa-Aesar: H27549...38 total

90715727
 
#34

AK Scientific: Z0308
Angene Building Blocks: AGN-PC-03XRXH
Ark Pharm Building Blocks: AK-88866
Aromalake BB: LS20344
Bide Pharmatech BB: BD228573...18 total

21298388
 
#35

Aromalake BB: LS20265
Capot Chemical: 9646
Chembo Pharma: KB-11401
Tractus: TRA0160863
BOC Sciences BB (Depleted): 183852-65-5...6 total

ref: mol2, SDF, SMILES, flexibase
0.49,4.5,-54.42,2,6,1, 259.326, 5
mid: mol2, SDF, SMILES, flexibase
0.49,3.09,-8.82,1,6,0, 258.318, 5

Similar to: 21298393, 39122961,
21298393
 
#36

Ark Pharm Building Blocks: AK130833
Aromalake BB: LS20265
Capot Chemical: 9646
Chembo Pharma: KB-211977, KB-11401
Tractus: TRA0160863...8 total

ref: mol2, SDF, SMILES, flexibase
0.49,4.48,-54.25,2,6,1, 259.326, 5
mid: mol2, SDF, SMILES, flexibase
0.49,3.1,-9.37,1,6,0, 258.318, 5

Similar to: 39122961, 21298388,
95940648
 
#37

eMolecules: 43467750
Molport: MolPort-020-014-349
ACB Blocks: MIX-0347
Acros Organics: 17103
AK Scientific: 0168AB...51 total

95670832
 
#38

eMolecules: 10499909
Aldrich CPR: CDS002807|ALDRICH
Alinda: IVK/0064571
Alinda Building Blocks: ALBB-010057
Aromalake BB: LS20203...23 total

18217709
 
#39

eMolecules: 857648, 46474462
Scientific Exchange (make on demand): F-351717
AK Scientific: Z7924, V2412
AKOS: AKOS000345350
Alfa-Aesar: H34355...78 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.55,-5.56,1,2,0, 162.167, 1
mid: mol2, SDF, SMILES, flexibase
2.16,4.6,-6.89,1,2,0, 162.167, 1
4692780
 
#40

eMolecules: 818601, 542753
Acorn PharmaTech: ACN-S003289
Acros Organics: FM00165
AK Scientific: X0233
Aldrich CPR: CDS002826|ALDRICH...55 total

ref: mol2, SDF, SMILES, flexibase
-0.01,3.03,-13.49,0,5,0, 113.076, 1
mid: mol2, SDF, SMILES, flexibase
0.40,2.66,-5.41,1,5,0, 113.076, 1
mid: mol2, SDF, SMILES, flexibase
0.40,2.69,-11.14,1,5,0, 113.076, 1
hi: mol2, SDF, SMILES, flexibase
0.40,2.51,-31.06,0,5,-1, 112.068, 1
hi: mol2, SDF, SMILES, flexibase
0.40,2.52,-30.93,0,5,-1, 112.068, 1

Similar to: 34616958,
95192363
 
#41

Angene Building Blocks: AGN-PC-0PIJC0
Apexmol Building Blocks: AM100275
Ark Pharm Building Blocks: AK-39351, AK159229, AK151258, AK-53357
Aromalake BB: LS20138
Bide Pharmatech BB: BD287870...27 total

95192362
 
#42

Angene Building Blocks: AGN-PC-0PIJC0
Apexmol Building Blocks: AM100275
Ark Pharm Building Blocks: AK-39351, AK151258, AK-53357
Aromalake BB: LS20138
Boerchem Pharmatech BB: BC214780...25 total

84843279
 
#43

eMolecules: 490931
Molport: MolPort-001-761-091
Acros Organics: 21928
Alfa-Aesar: B24090
Anward: ANW-15501...34 total

1596462
 
#44

eMolecules: 3725187, 17365388, 43445218
AK Scientific: W4367, X3552
AKOS: AKOS000112928
Alinda Building Blocks: ALBB-013879
Angene Building Blocks: AGN-PC-0QWMYG...62 total

mid: mol2, SDF, SMILES, flexibase
-0.11,0.39,-5.16,3,3,0, 109.132, 1
95950578
 
#45

Aromalake BB: LS11384
ref: mol2, SDF, SMILES, flexibase
3.77,7.97,-12.35,1,5,0, 290.706, 4
896402
 
#46

eMolecules: 480191
Scientific Exchange (make on demand): H-007780
Acros Organics: 15592
AK Scientific: Q196
Alfa-Aesar: A15315...50 total

95950577
 
#47

Ark Pharm Building Blocks: AK158374
Aromalake BB: LS10667
Bide Pharmatech BB: BD286906
SureChEMBL: SCHEMBL1679953
ref: mol2, SDF, SMILES, flexibase
3.97,8.9,-9.52,0,5,0, 257.673, 4
71791864
 
#48

eMolecules: 36770360
Molport: MolPort-028-754-395
AK Scientific: Z2828
Aromalake BB: LS70017
Enamine Building Blocks: EN300-133602...14 total

ref: mol2, SDF, SMILES, flexibase
3.41,6.8,-45.2,0,2,-1, 228.065, 1
35837411
 
#49

AK Scientific: P144
Aromalake BB: LS41264
Tetrahedron Building Blocks: TS21684
PubChem: 11572043
SureChEMBL: SCHEMBL4691068...5 total

ref: mol2, SDF, SMILES, flexibase
1.64,6.64,-44.98,0,4,-1, 213.253, 5
lo: mol2, SDF, SMILES, flexibase
1.64,4.66,-4.77,1,4,0, 214.261, 5

Similar to: 32217160, 32217162,
366885
 
#50

ChemMol: 30100639, 44002135
eMolecules: 520494
Molport: MolPort-002-507-803
Amadis Chemical: A845975
Angene Building Blocks: AGN-PC-0JUMM9...46 total

ref: mol2, SDF, SMILES, flexibase
0.82,2.88,-46.49,2,4,-1, 198.242, 4
lo: mol2, SDF, SMILES, flexibase
0.82,0.9,-5.9,3,4,0, 199.25, 4
1846088
 
#51

ChemMol: 44028524, 30111763, 2101618, 97900035
eMolecules: 1985473
Molport: MolPort-003-983-463
Active BioPharma: 83
AK Scientific: K214...98 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.37,-42.89,4,7,1, 370.495, 7

Similar to: 601255,
601255
 
#52

ChemMol: 44028524, 30111763, 2101618, 97900035
eMolecules: 1985473
Molport: MolPort-003-983-463
Active BioPharma: 83
AK Scientific: K214...94 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.33,-43.42,4,7,1, 370.495, 7

Similar to: 1846088,
13549141
 
#53

Aromalake BB: LS41258
ChEMBL12: CHEMBL1332980
ChEMBL19: CHEMBL1332980
PubChem: 58545420, 73081, 6604240, 59400402
SureChEMBL: SCHEMBL15590670...8 total

ref: mol2, SDF, SMILES, flexibase
-0.45,-2.08,-57.99,5,9,-1, 353.303, 5
8107
 
#54

ChemMol: 44004129, 30104608
AK Scientific: O382
Apexmol Building Blocks: AM84487
APIChem: AC-6802
Aromalake BB: LS41257...42 total

ref: mol2, SDF, SMILES, flexibase
1.82,-3.25,-12.39,3,5,0, 284.344, 2
388198
 
#55

eMolecules: 1883549, 48556262
Molport: MolPort-002-052-044
Scientific Exchange (make on demand): F-405070
TCM Database @ Taiwan: 30916
AK Scientific: M790...145 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-2.59,-48.05,5,3,1, 154.189, 2
hi: mol2, SDF, SMILES, flexibase
-0.55,-2.98,-5.39,4,3,0, 153.181, 2

Similar to: 558,
558
 
#56

eMolecules: 1883549
Molport: MolPort-002-052-044
Scientific Exchange (make on demand): F-405070
TCM Database @ Taiwan: 30569
AK Scientific: M790...127 total

ref: mol2, SDF, SMILES, flexibase
-0.55,-2.67,-47.53,5,3,1, 154.189, 2
hi: mol2, SDF, SMILES, flexibase
-0.55,-3.12,-5.5,4,3,0, 153.181, 2

Similar to: 388198,
733
 
#57

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-020-002-729, MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: tcm03_008005...153 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.78,-43.1,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.29,-5.42,3,3,0, 167.208, 3

Similar to: 403588,
403588
 
#58

ChemMol: 30108735, 83601213, 44010771, 97800902
eMolecules: 594160
Molport: MolPort-023-221-543
Scientific Exchange (make on demand): F-393787
TCM Database @ Taiwan: 46640...154 total

ref: mol2, SDF, SMILES, flexibase
0.43,-0.72,-42.44,4,3,1, 168.216, 3
hi: mol2, SDF, SMILES, flexibase
0.43,-2.17,-5.01,3,3,0, 167.208, 3

Similar to: 34638840, 34638841, 35874966, 35874967, 39311919, ... 7 in total.
2379670
 
#59

Acorn PharmaTech: ACN-S002440
AK Scientific: 3131AB
Anward: ANW-44373
Ark Pharm Building Blocks: AK-54772
Aromalake BB: LS41246...31 total

ref: mol2, SDF, SMILES, flexibase
3.57,12.77,-306.35,0,8,-4, 476.237, 8
lo: mol2, SDF, SMILES, flexibase
3.57,7.72,-193.42,1,8,-3, 477.245, 8
lo: mol2, SDF, SMILES, flexibase
3.57,10.8,-192.89,1,8,-3, 477.245, 8

Similar to: 34365129,
3860794
 
#60

eMolecules: 508565
Molport: MolPort-003-933-027
Acorn PharmaTech: ACN-S002029
Acros Organics: 13930
AK Scientific: 1807AC...69 total

ref: mol2, SDF, SMILES, flexibase
1.80,-1.96,-33.76,0,2,-1, 295.732, 1
4262401
 
#61

Molport: MolPort-016-582-058
Acros Organics: 41692
AK Scientific: Y5838
Aldrich CPR: S616761|ALDRICH
Alfa-Aesar: A12791...106 total

ref: mol2, SDF, SMILES, flexibase
1.12,2.52,-33.81,0,2,-1, 163.021, 2
21297308
 
#62

ChemMol: 44002912, 44031879, 30102870
AK Scientific: H714
Angene Building Blocks: AGN-PC-00FYWF
APIChem: AC-012
Ark Pharm Building Blocks: AK-75903...72 total

ref: mol2, SDF, SMILES, flexibase
-0.98,0.91,-42.93,3,9,-1, 272.181, 5

Similar to: 31904938, 31904939, 32138668, 33815875, 34614116, ... 16 in total.
22012024
 
#63

ChemMol: 44007845
AK Scientific: V0860
Anward: ANW-20226, ANW-44651
Ark Pharm Building Blocks: AK-58714
Aromalake BB: LS41213...27 total

ref: mol2, SDF, SMILES, flexibase
1.63,6.54,-68.15,4,7,-1, 297.294, 4
38339128
 
#64

ChemMol: 30109686
AK Scientific: W3385
Anward: ANW-45411
APIChem: AC-3504
Ark Pharm Building Blocks: AK-64807...20 total

ref: mol2, SDF, SMILES, flexibase
1.89,7.63,-16.37,4,7,0, 312.329, 5
157284
 
#65

ChemMol: 44002003, 30109508
eMolecules: 485117
Molport: MolPort-002-832-069
AKOS: AKOS000119375
Alfa-Aesar: B20816...63 total

ref: mol2, SDF, SMILES, flexibase
1.33,4.73,-109.82,0,4,-2, 198.218, 4

Similar to: 34381704, 34477584,
404375
 
#66

ChemMol: 44000526
eMolecules: 536993
Molport: MolPort-001-787-741
Acros Organics: 43486
AK Scientific: W7237...92 total

ref: mol2, SDF, SMILES, flexibase
1.60,4.53,-45.47,0,2,-1, 115.152, 2
lo: mol2, SDF, SMILES, flexibase
1.60,2.56,-4.92,1,2,0, 116.16, 2
897369
 
#67

ChemMol: 30100308
eMolecules: 511054
Scientific Exchange (make on demand): POD_34/0868
AK Scientific: H823
AKOS: AKOS000304771...106 total

ref: mol2, SDF, SMILES, flexibase
0.68,-0.73,-20.5,3,8,0, 198.138, 3

Similar to: 3646476, 3926342, 4802968, 39976888, ... 4 in total.
31361189
 
#68

ChemMol: 30107427, 44005932
Molport: MolPort-023-220-441
AK Scientific: O585
American Custom Chemicals Corp.: PST0000175
APIChem: AC-8802...44 total

ref: mol2, SDF, SMILES, flexibase
1.23,4.18,-16.63,0,8,0, 291.72, 3
ref: mol2, SDF, SMILES, flexibase
1.23,4.46,-19.18,0,8,0, 291.72, 3

Similar to: 33982653, 34033021, 34033163,
31334241
 
#69

AK Scientific: P698
Aromalake BB: LS41199
AKOS BB (make-on-demand): AKOS015901205
ChemDB: 7608132
KEGG via PubChem: C18889...16 total

ref: mol2, SDF, SMILES, flexibase
-0.39,-1.85,-118.27,1,13,-2, 384.33, 7
lo: mol2, SDF, SMILES, flexibase
-0.39,-1.7,-88.42,2,13,-1, 385.338, 7

Similar to: 2381596,
13831539
 
#70

AK Scientific: M988
Aromalake BB: LS41197
BOC Sciences BB: 199119-58-9, 145099-21-4
Chembo Pharma: KB-147089
Tetrahedron Building Blocks: TS70261...35 total

ref: mol2, SDF, SMILES, flexibase
1.58,-1.09,-65.06,2,11,0, 437.356, 9
mid: mol2, SDF, SMILES, flexibase
1.58,-2.66,-62.4,2,11,0, 437.356, 9
mid: mol2, SDF, SMILES, flexibase
1.58,-2.65,-59.79,2,11,0, 437.356, 9
mid: mol2, SDF, SMILES, flexibase
1.16,-2.64,-56.39,1,11,-1, 436.348, 9
hi: mol2, SDF, SMILES, flexibase
1.58,-1.16,-67.23,1,11,-1, 436.348, 9
2526778
 
#71

AK Scientific: O661
Apexmol Building Blocks: AM20020319
Aromalake BB: LS41195
BOC Sciences BB: 123343-16-8
Tetrahedron Building Blocks: TS78947...34 total

ref: mol2, SDF, SMILES, flexibase
3.20,3.71,-52.05,0,6,-1, 325.753, 5

Similar to: 34328635,
6360406
 
#72

eMolecules: 498581, 29918585
Molport: MolPort-001-766-702, MolPort-002-322-419, MolPort-004-288-362
Acros Organics: 25919
AK Scientific: H513
AKOS: AKOS005435146...83 total

ref: mol2, SDF, SMILES, flexibase
-1.14,-0.21,-41.61,7,4,1, 119.173, 1
mid: mol2, SDF, SMILES, flexibase
-1.01,0.52,-15.54,6,4,0, 118.165, 2
mid: mol2, SDF, SMILES, flexibase
-0.97,0.63,-16.6,6,4,0, 118.165, 1
mid: mol2, SDF, SMILES, flexibase
-0.97,-0.07,-17.07,6,4,0, 118.165, 1
mid: mol2, SDF, SMILES, flexibase
-1.01,-0.1,-15.69,6,4,0, 118.165, 2
hi: mol2, SDF, SMILES, flexibase
-1.14,-0.7,-14.07,6,4,0, 118.165, 1
hi: mol2, SDF, SMILES, flexibase
-0.84,-0.11,-9.19,6,4,0, 118.165, 2
hi: mol2, SDF, SMILES, flexibase
-0.84,0.19,-13.78,6,4,0, 118.165, 2
4284690
 
#73

ChemMol: 30107941
eMolecules: 526169
Scientific Exchange (make on demand): F-249460
AK Scientific: O096
AKOS: AKOS003399331...39 total

ref: mol2, SDF, SMILES, flexibase
2.33,0.75,-5.63,1,5,0, 249.053, 2
19419017
 
#74

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.
19735114
 
#75

ChemMol: 44003028
eMolecules: 487109
Acorn PharmaTech: ACN-S004031
Acros Organics: 18517
AK Scientific: O408...58 total

ref: mol2, SDF, SMILES, flexibase
-0.28,4.48,-37.51,0,5,-1, 132.095, 3

Similar to: 38250959,
301205
 
#76

ChemMol: 44010414, 97801782, 83601209
eMolecules: 35775800, 206999154, 517082, 2329676
Molport: MolPort-002-501-412, MolPort-002-039-827
Acorn PharmaTech: ACN-S003695
Acros Organics: 43538...124 total

ref: mol2, SDF, SMILES, flexibase
1.52,0.43,-42.43,4,2,1, 168.26, 0

Similar to: 12402556, 31502212, 31502216, 32139457, 32139458, ... 5 in total.
586584
 
#77

eMolecules: 711531
Molport: MolPort-000-871-621
TCM Database @ Taiwan: tcm03_004862
Acros Organics: 12514
AK Scientific: W0019...235 total

ref: mol2, SDF, SMILES, flexibase
-0.35,3.53,-44.86,0,3,-1, 115.108, 3
lo: mol2, SDF, SMILES, flexibase
-0.35,1.55,-7.09,1,3,0, 116.116, 3

Similar to: 1529524,
22055232
 
#78

Aromalake BB: LS41164
Fluorochem: 048972
Lab Seeker Building Blocks: SC-25213
Toronto Research Chemicals: C982220
Vesino Industrial Co Ltd: VZ31611...23 total

ref: mol2, SDF, SMILES, flexibase
-2.14,2.4,-43.32,3,5,0, 143.146, 2
19363630
 
#79

ChemMol: 98000538, 97800238, 30104960, 1203266
eMolecules: 535903
Molport: MolPort-016-965-514, MolPort-001-000-951
Scientific Exchange (make on demand): R-019647
Acorn PharmaTech: ACN-S003156...133 total

ref: mol2, SDF, SMILES, flexibase
3.49,8.09,-41.52,2,2,1, 287.814, 3
hi: mol2, SDF, SMILES, flexibase
3.49,6.76,-2.45,1,2,0, 286.806, 3

Similar to: 31332423, 31332429, 34340667,
19701999
 
#80

ChemMol: 30104960, 97800238, 1203266, 98000538
eMolecules: 535903
Molport: MolPort-001-000-951
Scientific Exchange (make on demand): R-019647
Acorn PharmaTech: ACN-S003156...129 total

ref: mol2, SDF, SMILES, flexibase
3.49,8.39,-41.9,2,2,1, 287.814, 3
hi: mol2, SDF, SMILES, flexibase
3.49,7.05,-2.49,1,2,0, 286.806, 3

Similar to: 31332423, 31332429, 34340667,
1577085
 
#81

ChemMol: 44015115, 44024189, 44008206
Molport: MolPort-003-928-431
Acros Organics: 11582
AK Scientific: X8859
AKOS: AKOS008030282...86 total

ref: mol2, SDF, SMILES, flexibase
0.95,4.1,-34.92,1,1,1, 108.592, 2
hi: mol2, SDF, SMILES, flexibase
1.52,5.05,-91.21,7,8,2, 425.924, 4
1609469
 
#82

ChemMol: 97800860, 83602913
eMolecules: 500570
Molport: MolPort-001-768-923
Acros Organics: 40103
AK Scientific: V0534...112 total

ref: mol2, SDF, SMILES, flexibase
-2.09,-7.31,-35.26,5,3,1, 92.118, 2
2384756
 
#83

ChemMol: 44025015, 30101001, 30202732
Scientific Exchange: R-064487
ACT Chemical BB: ACT08653
AK Scientific: K220
AKOS: AKOS015895406...54 total

ref: mol2, SDF, SMILES, flexibase
4.04,-0.5,-57.59,1,6,-1, 382.436, 8

Similar to: 34382751, 34382752, 34556699, 34556700, 36463825, ... 7 in total.
34415884
 
#84

Molport: MolPort-016-631-334
Ark Pharm Building Blocks: AK124529
Aromalake BB: LS30307
Chembo Pharma: KB-275450
ChemBridge BuildingBlocks: 4034776...19 total

ref: mol2, SDF, SMILES, flexibase
-0.27,-0.49,-46.08,4,5,1, 217.289, 2
hi: mol2, SDF, SMILES, flexibase
-0.27,-0.89,-6.78,3,5,0, 216.281, 2
4284507
 
#85

ChemMol: 97602768, 44016159, 97603002, 83601571, 44026831, 96705460
eMolecules: 206843897, 206905219
Molport: MolPort-016-581-619, MolPort-000-001-001, MolPort-001-767-837, MolPort-002-473-430, MolPort-002-499-405
Scientific Exchange (make on demand): Z-001816
Acros Organics: 36833...151 total

ref: mol2, SDF, SMILES, flexibase
-0.26,1.72,-77.41,3,3,0, 143.186, 1

Similar to: 5839813, 39247638, 39247639,
39811
 
#86

AfroDb Natural Products: 17.3.1.7.10
ChemMol: 30100295, 83600711, 98000485, 1035257, 1200955
eMolecules: 206844084
Enolase via KEGG (EFI): C00811_1
Molport: MolPort-000-860-894...182 total

ref: mol2, SDF, SMILES, flexibase
1.43,2.5,-50.43,1,3,-1, 163.152, 2

Similar to: 4632590,
391821
 
#87

ChemMol: 30116950, 30102560, 97602689, 1030335, 44002709
eMolecules: 530045
Enolase via KEGG (EFI): C01799_2
Molport: MolPort-003-938-849
TCM Database @ Taiwan: 43274...150 total

ref: mol2, SDF, SMILES, flexibase
-1.60,-1.93,-42.5,3,3,0, 117.148, 3

Similar to: 26507267,
156395
 
#88

Amino acid derivatives (EFI): L-Tyrosine_nacetyl
ChemMol: 30202430, 30103019
DiPeptides (Hao): N-Acyl-Tyr-S
eMolecules: 4927708
Enolase EN-EFI: N-Acyl-Tyr-S...130 total

ref: mol2, SDF, SMILES, flexibase
-1.44,2.52,-54.36,2,5,-1, 222.22, 4

Similar to: 641405, 641406, 2391098, 34458859, 34471863, ... 9 in total.
13559003
 
#89

ChemMol: 44004197, 2000454, 97603190, 30104714
AK Scientific: 0696AA, N757, O366
AKOS: AKOS015841982
American Custom Chemicals Corp.: CHM0016060
Angene Building Blocks: AGN-PC-0D9TGW...65 total

ref: mol2, SDF, SMILES, flexibase
-1.28,4.62,-58.91,0,4,-1, 170.188, 3

Similar to: 34327660, 41664961, 41887980, 41887984, 41888532, ... 14 in total.
22005970
 
#90

Anward: ANW-44270
Ark Pharm Building Blocks: AK-86878
Aromalake BB: LS30299
BePharm Building Blocks: B113461
Bide Pharmatech BB: BD113461...29 total

ref: mol2, SDF, SMILES, flexibase
-1.28,4.66,-59.09,0,4,-1, 170.188, 3

Similar to: 34327660, 41664961, 41887980, 41887984, 41888532, ... 14 in total.
3860649
 
#91

ChemMol: 44030723, 30111356, 42305372
eMolecules: 592538
Scientific Exchange (make on demand): POD_33/0464
ACB Blocks: MIX-0874
Acros Organics: 12872...68 total

ref: mol2, SDF, SMILES, flexibase
0.77,2.66,-12.61,1,6,0, 192.13, 1

Similar to: 31866889, 31866893, 31866895, 31866911, 31866915, ... 7 in total.
3995906
 
#92

eMolecules: 2052715
Molport: MolPort-002-137-365
Scientific Exchange (make on demand): M-173469
AK Scientific: 0900AC
AKOS: AKOS000151208...34 total

ref: mol2, SDF, SMILES, flexibase
1.14,3.33,-10.62,1,6,0, 206.157, 1

Similar to: 31866889, 31866893, 31866895, 31866911, 31866915, ... 7 in total.
5945431
 
#93

ChemMol: 44500405
Molport: MolPort-003-762-678
AK Scientific: X9022
AKOS: AKOS002367325
Aldrich CPR: TMT00444|ALDRICH...37 total

ref: mol2, SDF, SMILES, flexibase
0.74,2.77,-11.23,1,6,0, 192.13, 1
hi: mol2, SDF, SMILES, flexibase
2.05,9.71,-16.88,1,10,0, 474.569, 5

Similar to: 31866885, 31866903, 31866905,
2567875
 
#94

ChemMol: 44006574, 1036213
AK Scientific: U703
Alinda Building Blocks: ALBB-021944
Anward: ANW-50304
Apexmol Building Blocks: AM20090554...48 total

ref: mol2, SDF, SMILES, flexibase
-0.26,-1.47,-32.69,2,2,1, 130.211, 1

Similar to: 34401352, 39234151, 39234152, 39274701, 44131460, ... 5 in total.
66050
 
#95

ChemMol: 1036199, 30111132, 2000116, 44013350, 44004058, 30104517, 97602791, 42304488, 96707705
eMolecules: 527475
Molport: MolPort-002-112-569
Scientific Exchange (make on demand): F-034261
Acros Organics: AC13425...128 total

ref: mol2, SDF, SMILES, flexibase
1.50,4.89,-33.68,2,2,1, 192.282, 2

Similar to: 34519810, 34558718, 36467198, 36798436, 36798438, ... 12 in total.
66057
 
#96

ChemMol: 97602960, 42304492, 96707705, 1036199, 30111132, 44013805, 2000116
eMolecules: 527475
Molport: MolPort-002-112-569
Scientific Exchange (make on demand): F-034261
A&J Pharmtech: AJ-00182...123 total

ref: mol2, SDF, SMILES, flexibase
1.50,4.89,-33.68,2,2,1, 192.282, 2

Similar to: 34519810, 34558718, 36467198, 36798436, 36798438, ... 10 in total.
19935944
 
#97

ChemMol: 30111798, 44010803, 44013727
eMolecules: 32355648
Molport: MolPort-002-499-667, MolPort-016-582-999
AK Scientific: 5327AA, N806
AKOS: AKOS015909578...73 total

ref: mol2, SDF, SMILES, flexibase
1.41,4.09,-44.62,3,2,1, 205.325, 3

Similar to: 2524911,
3860448
 
#98

ChemMol: 30106037, 2100272, 96707568, 2000457, 44005101, 1036177, 2000814
eMolecules: 531018
Molport: MolPort-002-499-280, MolPort-000-003-564
Scientific Exchange (make on demand): F-415810
Acorn PharmaTech: ACN-S002672...112 total

ref: mol2, SDF, SMILES, flexibase
0.76,4.03,-44.04,2,3,1, 158.221, 3

Similar to: 5848135, 5848172, 33799083, 34577175, 37093115, ... 6 in total.
57562
 
#99

ChemMol: 83602217, 44002586, 42303915, 97801065, 30102339, 2000092, 96707792, 1201483
eMolecules: 483645
Molport: MolPort-000-001-569
ACB Blocks: MIX-0703
Acros Organics: 38487...123 total

ref: mol2, SDF, SMILES, flexibase
1.40,6.11,-46.78,0,5,-1, 228.268, 3

Similar to: 2391710, 44238975, 44239229,
1663841
 
#100

ChemMol: 30116017, 44021024, 44003808
Molport: MolPort-000-006-145
A&J Pharmtech: AJ-02646
AK Scientific: X3006, R079
AKOS: AKOS015855381...82 total

ref: mol2, SDF, SMILES, flexibase
-0.60,-1.28,-46.27,2,2,1, 86.114, 0

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 = 775 ) limit 0,100

Smiles were