UCSF banner
Search Results
Initial search took 1 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
5392751
 
#1

Scientific Exchange Building Blocks: X-097145
ChemDB: 6398878
PubChem: 3470897
AKOS (make-on-demand): AKOS003851967
ref: mol2, SDF, SMILES, flexibase
1.38,5.06,-57.68,1,7,-1, 353.811, 6
mid: mol2, SDF, SMILES, flexibase
1.38,5.36,-16.8,2,7,0, 354.819, 6

Similar to: 208153, 2454828, 380481, 68194, 1031577, ... 9 in total.
23292125
 
#2

Scientific Exchange Building Blocks: F-235486
Matrix Scientific: 060422
Zylexa Pharma BB: ZP-BB-CD021219
PubChem: 17221319, 56773515
Ambinter: Amb21959716...7 total

ref: mol2, SDF, SMILES, flexibase
1.03,3.63,-42.79,3,4,1, 260.361, 3

Similar to: 36780489, 36780999, 36781652, 36782464, 55628177, ... 5 in total.
149794
 
#3

eMolecules: 1881054
Scientific Exchange Building Blocks: Z-094152
AKOS: AKOS000273388
Aldrich CPR: OTV000041|ALDRICH
Ark Pharm Building Blocks: AK-97902...31 total

ref: mol2, SDF, SMILES, flexibase
2.53,0.92,-43.95,0,5,-1, 246.242, 3

Similar to: 5897198, 36724137, 36724139, 41679264, 41679265, ... 6 in total.
210315
 
#4

eMolecules: 1498154, 46473811
Molport: MolPort-000-844-321
Scientific Exchange Building Blocks: Z-089835
AK Scientific: 4405AE
AKOS: AKOS000266356...63 total

ref: mol2, SDF, SMILES, flexibase
1.50,5.2,-54.86,1,4,-1, 203.221, 4
18191658
 
#5

eMolecules: 15208496, 11489596
Molport: MolPort-002-041-021, MolPort-008-154-421
Scientific Exchange Building Blocks: Z-069552
AKOS: AKOS000295720
Aldrich CPR: CDS007720|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
2.25,4.71,-46.13,1,4,-1, 206.25, 2
mid: mol2, SDF, SMILES, flexibase
2.25,4.83,-25.34,2,4,0, 207.258, 2

Similar to: 34977887, 39756205,
342291
 
#6

eMolecules: 1188452
Scientific Exchange Building Blocks: Z-052777
AKOS: AKOS000104597
Apexmol Building Blocks: AM804054
Bosche Scientific: D9944...28 total

ref: mol2, SDF, SMILES, flexibase
2.73,0.59,-55.92,1,4,-1, 220.248, 3

Similar to: 33796275, 44822681, 44822682,
4208979
 
#7

ChemMol: 97804904, 44014728
Scientific Exchange Building Blocks: Z-050094
AK Scientific: Y7756
AKOS: AKOS005166841
Angene Building Blocks: AGN-PC-0JLVRI...35 total

ref: mol2, SDF, SMILES, flexibase
1.84,3.55,-48.33,0,2,-1, 206.04, 1
5010151
 
#8

Molport: MolPort-001-909-400
Scientific Exchange Building Blocks: Z-049553
AKOS: AKOS000126787
Asinex: BAS02993036
Enamine Building Blocks: EN300-41846...25 total

ref: mol2, SDF, SMILES, flexibase
1.43,7.61,-44.96,0,3,-1, 206.246, 4
2552640
 
#9

eMolecules: 830691
Scientific Exchange Building Blocks: Z-029869
AKOS: AKOS000267393
ChemBridge: 7144647
Enamine Building Blocks: EN300-07158...27 total

ref: mol2, SDF, SMILES, flexibase
1.18,-2.3,-67.47,0,8,-1, 313.311, 4
169239
 
#10

eMolecules: 704797
Scientific Exchange: Z-029867
Scientific Exchange Building Blocks: Z-029867
ACB Blocks: BHI-3368
AK Scientific: HTS028143...57 total

ref: mol2, SDF, SMILES, flexibase
1.72,5.73,-52.65,0,5,-1, 282.341, 3

Similar to: 6535583, 32118610, 32130105, 32130983, 36721174, ... 6 in total.
169238
 
#11

eMolecules: 830671
Scientific Exchange Building Blocks: Z-029866
AK Scientific: HTS028427
AKOS: AKOS000121805
Alinda Building Blocks: ALBB-015547...59 total

ref: mol2, SDF, SMILES, flexibase
1.95,-3.94,-51.74,0,5,-1, 302.759, 3

Similar to: 32202749,
3864738
 
#12

eMolecules: 830693
Scientific Exchange Building Blocks: Z-029864
AKOS: AKOS000267394
Asinex: BAS00439769
Enamine: Z45543252...32 total

ref: mol2, SDF, SMILES, flexibase
1.18,6.89,-61.9,0,8,-1, 313.311, 4

Similar to: 42161819, 42161821,
2552634
 
#13

eMolecules: 830693
Scientific Exchange Building Blocks: Z-029864
AKOS: AKOS000267394
Asinex: BAS00439769
Enamine: Z45543252...31 total

ref: mol2, SDF, SMILES, flexibase
1.18,6.58,-57.8,0,8,-1, 313.311, 4

Similar to: 42161819, 42161821,
323746
 
#14

eMolecules: 830687
Scientific Exchange Building Blocks: Z-029863
AKOS: AKOS000267389
Chembo Pharma: KB-123577
Enamine: Z45543242...25 total

ref: mol2, SDF, SMILES, flexibase
1.23,-3.4,-49.88,0,8,-1, 313.311, 4

Similar to: 3976275, 42161811, 42161813,
323749
 
#15

eMolecules: 830687
Scientific Exchange Building Blocks: Z-029863
AKOS: AKOS000267389
Chembo Pharma: KB-123577
Enamine: Z45543242...25 total

ref: mol2, SDF, SMILES, flexibase
1.23,-3.4,-49.91,0,8,-1, 313.311, 4

Similar to: 3976275, 42161811, 42161813,
2816089
 
#16

ChemMol: 44024169
eMolecules: 830657
Scientific Exchange: Z-029862
Scientific Exchange Building Blocks: Z-029862
AK Scientific: 4654AE...54 total

ref: mol2, SDF, SMILES, flexibase
1.72,-3.6,-50.98,0,5,-1, 282.341, 3

Similar to: 6645536, 6645537, 35905612, 39234956, 39724463, ... 6 in total.
2552632
 
#17

ChemMol: 44024169
eMolecules: 830657
Scientific Exchange: Z-029862
Scientific Exchange Building Blocks: Z-029862
AK Scientific: 4654AE...54 total

ref: mol2, SDF, SMILES, flexibase
1.72,-3.6,-51.01,0,5,-1, 282.341, 3

Similar to: 6645536, 6645537, 35905612, 39234956, 39724463, ... 6 in total.
1802225
 
#18

eMolecules: 815243
Scientific Exchange Building Blocks: Z-029861
AK Scientific: HTS028430
AKOS: AKOS000112101
Alinda: IVK/0007173...46 total

ref: mol2, SDF, SMILES, flexibase
1.95,-4.06,-48.91,0,5,-1, 302.759, 3

Similar to: 36983367, 36983368,
3864735
 
#19

eMolecules: 815243
Scientific Exchange Building Blocks: Z-029861
AK Scientific: HTS028430
AKOS: AKOS000112101
Alinda: IVK/0007173...46 total

ref: mol2, SDF, SMILES, flexibase
1.95,-4.06,-48.95,0,5,-1, 302.759, 3

Similar to: 36983367, 36983368,
323724
 
#20

eMolecules: 830653
Scientific Exchange Building Blocks: Z-029854
AKOS: AKOS000112089
Alinda: IVK/0002973
Asinex: BAS00439760...56 total

ref: mol2, SDF, SMILES, flexibase
1.27,5.02,-50.96,0,5,-1, 268.314, 3
323730
 
#21

eMolecules: 830653
Scientific Exchange Building Blocks: Z-029854
AKOS: AKOS000112089
Alinda: IVK/0002973
Asinex: BAS00439760...55 total

ref: mol2, SDF, SMILES, flexibase
1.27,4.96,-49.71,0,5,-1, 268.314, 3
1512399
 
#22

eMolecules: 828541
Scientific Exchange Building Blocks: Z-028094
AK Scientific: Z4307
AKOS: AKOS000267994
Alinda Building Blocks: ALBB-013493...64 total

ref: mol2, SDF, SMILES, flexibase
1.45,4.69,-11.06,1,5,0, 177.163, 1
ref: mol2, SDF, SMILES, flexibase
1.45,4.7,-8.69,1,5,0, 177.163, 1
1508898
 
#23

Molport: MolPort-001-991-690
Scientific Exchange Building Blocks: Z-027951
Asinex: BAS03420772
Asinex Building Blocks: BAS03420772
Chembo Pharma: KB-222200...20 total

ref: mol2, SDF, SMILES, flexibase
3.70,3.98,-7.47,5,4,0, 293.157, 1
mid: mol2, SDF, SMILES, flexibase
3.70,4.39,-28,6,4,1, 294.165, 1
19881443
 
#24

eMolecules: 8297622, 1341316
Molport: MolPort-001-965-041, MolPort-004-948-010
Scientific Exchange Building Blocks: Z-021245
AKOS: AKOS000507292
Aldrich CPR: CDS018601|ALDRICH...36 total

ref: mol2, SDF, SMILES, flexibase
2.09,7.34,-38.7,1,3,1, 265.352, 5
hi: mol2, SDF, SMILES, flexibase
2.09,4.97,-7.85,0,3,0, 264.344, 5

Similar to: 20437138, 31490045, 35038647, 35042852, 45699908, ... 7 in total.
1871349
 
#25

Scientific Exchange Building Blocks: Z-012735
MolMall (Depleted): 1836
MolMall (formerly Molecular Diversity Preservation International): 11553
NCI Diversity 3: 12227
NCI Plated 2007: 12227...13 total

ref: mol2, SDF, SMILES, flexibase
2.06,7.31,-37.78,1,2,1, 210.322, 4
hi: mol2, SDF, SMILES, flexibase
2.06,4.85,-5.91,0,2,0, 209.314, 4

Similar to: 36196799, 36196802, 36196804,
1724759
 
#26

Scientific Exchange Building Blocks: Z-012733
MolMall (Depleted): 1834
MolMall (formerly Molecular Diversity Preservation International): 11551
ChemDB: 5154404
PubChem: 13580648...10 total

ref: mol2, SDF, SMILES, flexibase
2.41,1.58,-36.15,1,2,1, 212.338, 6

Similar to: 33878451, 36196799,
17946040
 
#27

eMolecules: 1483450, 905957
Molport: MolPort-001-824-944, MolPort-002-005-747
Scientific Exchange Building Blocks: Z-008923
AKOS: AKOS000117123, AKOS000552479
Aldrich CPR: L445967|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
3.03,5.96,-41.05,1,3,-1, 255.12, 1
mid: mol2, SDF, SMILES, flexibase
3.03,6.07,-26.49,2,3,0, 256.128, 1
317843
 
#28

eMolecules: 706469
Scientific Exchange Building Blocks: Z-006789
ACB Blocks: PCA-0019
AK Scientific: V8987
AKOS: AKOS000126955...51 total

ref: mol2, SDF, SMILES, flexibase
1.46,6.75,-38.35,0,4,-1, 283.101, 2
lo: mol2, SDF, SMILES, flexibase
1.46,4.77,-10.35,1,4,0, 284.109, 2
317844
 
#29

eMolecules: 706469
Scientific Exchange Building Blocks: Z-006789
ACB Blocks: PCA-0019
AK Scientific: V8987
AKOS: AKOS000126955...50 total

ref: mol2, SDF, SMILES, flexibase
1.46,6.76,-39.24,0,4,-1, 283.101, 2
lo: mol2, SDF, SMILES, flexibase
1.46,4.76,-10.44,1,4,0, 284.109, 2
5817304
 
#30

eMolecules: 32281474
Molport: MolPort-000-935-994, MolPort-009-016-940
Scientific Exchange Building Blocks: Z-006626
AKOS: AKOS000227243
Ark Pharm Building Blocks: AK-97657...26 total

ref: mol2, SDF, SMILES, flexibase
1.38,4.94,-41.47,2,2,1, 165.26, 4
lo: mol2, SDF, SMILES, flexibase
1.38,5.22,-100.57,3,2,2, 166.268, 4

Similar to: 36667749, 36667751, 36677042, 36677043, ... 4 in total.
13798253
 
#31

eMolecules: 29646020, 28218753
Molport: MolPort-004-314-798, MolPort-009-166-936
Scientific Exchange Building Blocks: Z-006590
AK Scientific: 1496AB
Ark Pharm Building Blocks: AK-47249...34 total

ref: mol2, SDF, SMILES, flexibase
1.93,6.09,-41.38,1,2,1, 197.689, 2

Similar to: 36789043, 36790526, 36790527, 37092743, 37095024, ... 10 in total.
19389732
 
#32

Scientific Exchange Building Blocks: Z-006581
PubChem: 19933409, 28151311
SureChEMBL: SCHEMBL5048184
Enamine BB Make on Demand: BBV-048601
UORSY BB Make-on-demand: BBV-048601...6 total

ref: mol2, SDF, SMILES, flexibase
2.28,6.54,-39.87,1,2,1, 199.705, 4

Similar to: 42763720, 42763868,
19282673
 
#33

Scientific Exchange Building Blocks: Z-006578
AK Scientific: Y8322
Ark Pharm Building Blocks: AK-97372
BioSynth: W-206733
Chembo Pharma: KB-277947...19 total

ref: mol2, SDF, SMILES, flexibase
1.52,5.13,-42.41,1,2,1, 171.651, 2
hi: mol2, SDF, SMILES, flexibase
1.52,2.59,-4.35,0,2,0, 170.643, 2

Similar to: 34549396, 36771208, 37082228,
391171
 
#34

eMolecules: 526863
Molport: MolPort-000-004-636
Scientific Exchange Building Blocks: Z-002943
AK Scientific: 1267AB
AKOS: AKOS000194764...64 total

ref: mol2, SDF, SMILES, flexibase
0.38,1.69,-33.18,4,3,1, 151.189, 2

Similar to: 34604398,
239153
 
#35

eMolecules: 6179758
Molport: MolPort-003-054-153
Scientific Exchange Building Blocks: X-090275
AKOS: AKOS000104643
Innovapharm: STT-00393442...22 total

ref: mol2, SDF, SMILES, flexibase
2.68,0.23,-56.53,1,4,-1, 220.248, 4

Similar to: 44822679, 44822680,
386704
 
#36

eMolecules: 838139
Molport: MolPort-000-871-616
Scientific Exchange Building Blocks: X-075098
AKOS: AKOS000162634
Chembo Pharma: KB-98426...32 total

ref: mol2, SDF, SMILES, flexibase
1.04,-1.88,-47.69,0,5,-1, 261.301, 4

Similar to: 31979196,
138887
 
#37

eMolecules: 1273263
Molport: MolPort-001-946-358
Scientific Exchange Building Blocks: X-073249
AKOS: AKOS000642410
Mcule: MCULE-2335412314...19 total

ref: mol2, SDF, SMILES, flexibase
3.83,11.05,-60.75,0,5,-1, 342.33, 2

Similar to: 33711511,
267340
 
#38

eMolecules: 6683385
Molport: MolPort-007-556-233
Scientific Exchange Building Blocks: X-072585
AKOS: AKOS001625044
Mcule: MCULE-2319975189...22 total

ref: mol2, SDF, SMILES, flexibase
2.15,5.27,-61.67,3,5,-1, 255.253, 3

Similar to: 5798268, 11639773, 11639989, 38599705, ... 4 in total.
23292121
 
#39

Scientific Exchange Building Blocks: F-235483
PubChem: 17221313
Enamine BB Make on Demand: BBV-210084
UORSY BB Make-on-demand: BBV-210084
ref: mol2, SDF, SMILES, flexibase
1.97,4.61,-44.23,3,4,1, 270.356, 3
hi: mol2, SDF, SMILES, flexibase
1.97,3.25,-9.55,2,4,0, 269.348, 3

Similar to: 23663521, 45606717,
19702179
 
#40

eMolecules: 2868841
Molport: MolPort-002-469-904
Scientific Exchange Building Blocks: F-235473
AK Scientific: 1151AF
AKOS: AKOS000266015...31 total

ref: mol2, SDF, SMILES, flexibase
-0.77,-1.6,-41.24,3,5,1, 202.278, 5
hi: mol2, SDF, SMILES, flexibase
-0.77,-3.06,-9.53,2,5,0, 201.27, 5

Similar to: 23304098, 37818179, 41363742, 42205357, 42206597, ... 7 in total.
40321598
 
#41

eMolecules: 46012586
Molport: MolPort-008-326-883
Scientific Exchange Building Blocks: Z-099051
Mcule: MCULE-9735062138
Molport BB: MolPort-008-326-883...11 total

ref: mol2, SDF, SMILES, flexibase
2.97,7.51,-9.5,2,3,0, 266.344, 4
264087
 
#42

eMolecules: 30513533
Molport: MolPort-008-326-882
Scientific Exchange Building Blocks: Z-098299
Mcule: MCULE-6898026446
Molport BB: MolPort-008-326-882...14 total

ref: mol2, SDF, SMILES, flexibase
1.95,-3.23,-9.97,4,4,0, 262.316, 2

Similar to: 34433706, 34588099, 35837965, 39121255, ... 4 in total.
5335758
 
#43

eMolecules: 30513531
Molport: MolPort-008-326-881
Scientific Exchange Building Blocks: Z-098087
AKOS: AKOS005609813
Mcule: MCULE-8974720153...13 total

ref: mol2, SDF, SMILES, flexibase
2.55,-3.57,-11.2,4,5,0, 339.402, 3

Similar to: 34887044,
282098
 
#44

eMolecules: 1157573
Molport: MolPort-001-892-135
Scientific Exchange Building Blocks: Z-098011
AKOS: AKOS000528475
ChemBridge: 5135339...18 total

ref: mol2, SDF, SMILES, flexibase
0.46,-9.69,-16.62,6,7,0, 286.291, 4

Similar to: 1257001,
2163480
 
#45

eMolecules: 530820
Scientific Exchange Building Blocks: Z-097233
Acros Organics: 35533
AK Scientific: 4859AE
Alfa-Aesar: A12869...35 total

ref: mol2, SDF, SMILES, flexibase
2.16,6.11,-7.22,0,1,0, 149.218, 2

Similar to: 26509739, 39269893, 39269894,
564495
 
#46

eMolecules: 7604212
Molport: MolPort-008-550-704
Scientific Exchange Building Blocks: Z-097232
AKOS: AKOS005234174
Aldrich CPR: PH011181|ALDRICH...25 total

ref: mol2, SDF, SMILES, flexibase
1.10,2.44,-10.28,2,2,0, 167.233, 3

Similar to: 23549265,
61361
 
#47

eMolecules: 4328960
Molport: MolPort-002-485-955
Scientific Exchange Building Blocks: Z-097199
AKOS: AKOS008908644
Florida Heterocyclic Compounds: 19198...22 total

ref: mol2, SDF, SMILES, flexibase
3.52,9.25,-9.32,0,1,0, 228.316, 4

Similar to: 6300538, 34218566, 34579226, 34980619, 34980710, ... 5 in total.
183895
 
#48

ChemMol: 44021257, 97804674
eMolecules: 919091
Molport: MolPort-001-770-889
Scientific Exchange (make on demand): Z-087236
Scientific Exchange Building Blocks: Z-089712...54 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.99,-10.74,0,4,0, 204.229, 3
lo: mol2, SDF, SMILES, flexibase
1.97,7.42,-29.36,1,4,1, 205.237, 3

Similar to: 34451196, 34456388, 36220603, 39261173, ... 4 in total.
4982335
 
#49

eMolecules: 45985903
Molport: MolPort-002-157-276
Scientific Exchange Building Blocks: Z-083223
AK Scientific: 8551AD
AKOS: AKOS005609793...19 total

ref: mol2, SDF, SMILES, flexibase
2.92,0.22,-9.59,2,3,0, 253.301, 4

Similar to: 5934001, 33845086,
17420931
 
#50

Molport: MolPort-000-003-919, MolPort-022-369-715
Scientific Exchange Building Blocks: Z-033074
AK Scientific: W3367
AKOS: AKOS002675894
Aldrich CPR: T326186|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
0.88,2.93,-13.45,1,3,0, 163.176, 0

Similar to: 39261656,
3156528
 
#51

Scientific Exchange Building Blocks: Z-029004
Chembo Pharma: KB-101800
Enamine Building Blocks: EN300-110714
Innovapharm Building Blocks: BBS-00003940
Molport BB: MolPort-000-871-719...11 total

ref: mol2, SDF, SMILES, flexibase
3.64,0.02,-9.13,1,3,0, 289.762, 6

Similar to: 41689571, 41689803, 41692193, 41698718, 41716712, ... 6 in total.
39693
 
#52

eMolecules: 1945627
Molport: MolPort-002-483-310
Scientific Exchange Building Blocks: Z-015723
AK Scientific: Z4283
AKOS: AKOS000263223...44 total

ref: mol2, SDF, SMILES, flexibase
1.61,4.54,-8.65,2,3,0, 147.181, 1
23292095
 
#53

Scientific Exchange Building Blocks: F-235469
PubChem: 17221290
Enamine BB Make on Demand: BBV-32602588
UORSY BB Make-on-demand: BBV-32602588
ref: mol2, SDF, SMILES, flexibase
1.20,3.16,-46.04,4,5,1, 287.387, 5

Similar to: 38419513, 44898783, 53142571,
19626982
 
#54

eMolecules: 22915124
Scientific Exchange Building Blocks: Z-012739
Aldrich CPR: S532045|ALDRICH
Chembo Pharma: KB-236690
Element Store BB: b2star-93856-88-3...14 total

ref: mol2, SDF, SMILES, flexibase
1.51,3.37,-7.23,0,3,0, 225.313, 4
8701464
 
#55

Scientific Exchange Building Blocks: Z-011181
Innovapharm BB Make on Demand: BBV-00075342
IBM Patent Data: 136078404
PubChem: 17604607
SureChEMBL: SCHEMBL5808300...7 total

ref: mol2, SDF, SMILES, flexibase
1.87,3.82,-10.37,1,3,0, 211.286, 4
hi: mol2, SDF, SMILES, flexibase
1.87,4.35,-50.94,1,3,-1, 210.278, 4
17542419
 
#56

eMolecules: 1535915, 36511636
Molport: MolPort-019-907-238, MolPort-002-021-872
Scientific Exchange Building Blocks: Z-008951
AKOS: AKOS000640153
Aldrich CPR: CDS008462|ALDRICH...50 total

ref: mol2, SDF, SMILES, flexibase
1.19,4.96,-6.08,3,4,0, 166.228, 1
lo: mol2, SDF, SMILES, flexibase
1.19,5.52,-30.15,4,4,1, 167.236, 1

Similar to: 42174858, 6562371,
1694184
 
#57

ChemMol: 44016839
eMolecules: 821306
Molport: MolPort-000-931-521
Scientific Exchange Building Blocks: Z-007736
AKOS: AKOS000152188...73 total

ref: mol2, SDF, SMILES, flexibase
1.69,4.95,-5.94,1,2,0, 197.665, 4

Similar to: 3645831, 5872323, 6330807, 34477106, 41688334, ... 10 in total.
23292093
 
#58

Scientific Exchange Building Blocks: F-235468
PubChem: 17221288, 23080527
Enamine BB Make on Demand: BBV-36635774
UORSY BB Make-on-demand: BBV-36635774
ref: mol2, SDF, SMILES, flexibase
0.54,1,-44.94,3,6,1, 278.332, 4

Similar to: 42803817, 42803821,
72455
 
#59

eMolecules: 825400
Molport: MolPort-000-856-239
Scientific Exchange Building Blocks: Z-003554
AKOS: AKOS001031368
Alinda Building Blocks: ALBB-013503...32 total

ref: mol2, SDF, SMILES, flexibase
1.97,6.56,-8.14,0,5,0, 231.284, 0

Similar to: 34616459, 34616460, 34616461, 34616462, ... 4 in total.
2516794
 
#60

ChemMol: 1037318, 98001754, 44008989, 1200303
Scientific Exchange Building Blocks: Z-003166
AK Scientific: W4148
Alfa-Aesar: B24684
Angene Building Blocks: AGN-PC-0KK6TU...51 total

ref: mol2, SDF, SMILES, flexibase
1.88,3.66,-7.11,0,2,0, 154.14, 2

Similar to: 39125762,
226821
 
#61

eMolecules: 1417824
Molport: MolPort-001-988-541
Scientific Exchange Building Blocks: Z-000905
AK Scientific: 8523AB
AKOS: AKOS000104260...44 total

ref: mol2, SDF, SMILES, flexibase
2.21,5.81,-9.25,0,3,0, 213.236, 4

Similar to: 6320019, 8701577, 31679779, 31682372, 31979869, ... 10 in total.
5670396
 
#62

Scientific Exchange Building Blocks: X-098948
AKOS: AKOS003856938
Alinda Building Blocks: ALBB-018981
ChemDiv BuildingBlocks: BB57-2767
Molport BB: MolPort-006-015-528...11 total

ref: mol2, SDF, SMILES, flexibase
3.25,-0.27,-5.38,1,2,0, 252.528, 3
2230278
 
#63

eMolecules: 829540
Scientific Exchange Building Blocks: X-097384
AK Scientific: 6530AE
AKOS: AKOS000266825
Alinda Building Blocks: ALBB-019027...27 total

ref: mol2, SDF, SMILES, flexibase
3.09,-0.08,-9.02,1,4,0, 315.822, 6

Similar to: 5384454, 5717881, 5910277,
4079094
 
#64

Scientific Exchange Building Blocks: X-097222
AKOS: AKOS002666339
Alinda Building Blocks: ALBB-019011
ChemDiv BuildingBlocks: BB57-2796
Life Chemicals: F0453-0256...17 total

ref: mol2, SDF, SMILES, flexibase
0.42,3.13,-14.97,1,4,0, 205.67, 3

Similar to: 6343119, 36239042,
5384770
 
#65

eMolecules: 5346043
Molport: MolPort-004-315-729
Scientific Exchange Building Blocks: X-096830
AK Scientific: 6865AD
AKOS: AKOS000156789...28 total

ref: mol2, SDF, SMILES, flexibase
3.50,0.64,-7.11,1,2,0, 225.719, 4

Similar to: 19269774, 34345039, 37002447, 37007830, ... 4 in total.
5672428
 
#66

Scientific Exchange Building Blocks: X-096297
AKOS: AKOS000199089
Alinda Building Blocks: ALBB-018990
Ark Pharm Building Blocks: AK-98025
ChemBridge BuildingBlocks: 5704897...17 total

ref: mol2, SDF, SMILES, flexibase
0.81,1.62,-11.93,3,4,0, 226.663, 4

Similar to: 37008680, 37013144,
123327
 
#67

eMolecules: 2127003, 5848630
Molport: MolPort-002-118-870, MolPort-002-797-144
Scientific Exchange (make on demand): T-073534
Scientific Exchange Building Blocks: X-084508
AKOS: AKOS001578037...37 total

ref: mol2, SDF, SMILES, flexibase
2.06,7.83,-9.59,0,3,0, 232.308, 4
mid: mol2, SDF, SMILES, flexibase
2.06,8.32,-36.01,1,3,1, 233.316, 4

Similar to: 9146307, 34993873,
387733
 
#68

Molport: MolPort-002-475-380
Scientific Exchange Building Blocks: X-082750
Florida Heterocyclic Compounds: 4044
Indofine: 19-691
KeyOrganics: 11A-042...16 total

ref: mol2, SDF, SMILES, flexibase
1.98,7.11,-13.22,0,3,0, 214.268, 3

Similar to: 34556242,
4181904
 
#69

eMolecules: 25877137
Molport: MolPort-001-946-344
Scientific Exchange Building Blocks: X-072790
AKOS: AKOS001745752
Aldrich CPR: T301337|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
2.79,6.28,-8.1,2,2,0, 229.304, 3
23292090
 
#70

Scientific Exchange Building Blocks: F-235466
PubChem: 17221285
Enamine BB Make on Demand: BBV-210077
UORSY BB Make-on-demand: BBV-210077
ref: mol2, SDF, SMILES, flexibase
-0.10,0.47,-42.21,3,5,1, 224.284, 4
hi: mol2, SDF, SMILES, flexibase
-0.10,-0.9,-8.13,2,5,0, 223.276, 4

Similar to: 20608804, 12550470,
12651620
 
#71

Scientific Exchange Building Blocks: Q-057491
Chembo Pharma: KB-185917
Chemstep: 55428
PubChem: 51414286, 23042616
SureChEMBL: SCHEMBL9507913...6 total

ref: mol2, SDF, SMILES, flexibase
2.34,3.76,-32.27,3,5,0, 217.228, 2
mid: mol2, SDF, SMILES, flexibase
2.34,2.91,-56.8,2,5,-1, 216.22, 2
9553669
 
#72

eMolecules: 2102600
Molport: MolPort-002-939-101
Scientific Exchange Building Blocks: X-051644
AKOS: AKOS001649219
ChemDiv: 3952-1722...15 total

ref: mol2, SDF, SMILES, flexibase
4.96,8.32,-13.37,6,7,0, 432.487, 4
lo: mol2, SDF, SMILES, flexibase
4.96,8.65,-35.83,7,7,1, 433.495, 4
lo: mol2, SDF, SMILES, flexibase
4.96,9.13,-70.47,8,7,2, 434.503, 4

Similar to: 42172941, 42173057, 42173138, 42173141, 42173157, ... 6 in total.
4748343
 
#73

Scientific Exchange Building Blocks: X-016500
Innovapharm BB Make on Demand: BBV-00054036
PubChem: 3646943
ref: mol2, SDF, SMILES, flexibase
1.01,3.4,-43.23,5,4,1, 187.292, 3
hi: mol2, SDF, SMILES, flexibase
1.05,2.88,-27.45,4,4,0, 186.284, 1
hi: mol2, SDF, SMILES, flexibase
1.05,2.99,-39.7,5,4,1, 187.292, 1
hi: mol2, SDF, SMILES, flexibase
1.05,2.82,-24.2,4,4,0, 186.284, 1
hi: mol2, SDF, SMILES, flexibase
1.05,2.68,-37.42,5,4,1, 187.292, 1
58863924
 
#74

Scientific Exchange Building Blocks: T-074693
ref: mol2, SDF, SMILES, flexibase
1.37,3.62,-18.45,3,6,0, 281.271, 2
hi: mol2, SDF, SMILES, flexibase
1.44,1.94,-67.9,2,6,-1, 280.263, 2

Similar to: 32189516,
5909370
 
#75

Scientific Exchange Building Blocks: R-091765
Mcule: MCULE-6484035244
UORSY: PB49639294
Innovapharm BB Make on Demand: BBV-00054054
ChemDB: 7366691...9 total

ref: mol2, SDF, SMILES, flexibase
1.56,4.94,-12.78,3,5,0, 248.311, 3

Similar to: 6326012, 6326023, 6327555, 7323974, 7944374, ... 6 in total.
15684870
 
#76

eMolecules: 25887245, 629459
Molport: MolPort-002-173-423, MolPort-001-823-417
Scientific Exchange Building Blocks: R-091730
AKOS: AKOS000103851
Aldrich CPR: R417262|ALDRICH...21 total

ref: mol2, SDF, SMILES, flexibase
2.06,5.84,-14.51,3,5,0, 262.338, 4

Similar to: 8553650, 7378202, 7638159, 7638162, 7638199, ... 8 in total.
162747
 
#77

ChemMol: 51500985
eMolecules: 8600910, 27498306
Molport: MolPort-016-631-586, MolPort-001-765-456, MolPort-002-933-537, MolPort-002-879-595
Scientific Exchange Building Blocks: R-064275
AK Scientific: 4394AD...67 total

ref: mol2, SDF, SMILES, flexibase
0.82,-2.3,-7.48,2,3,0, 112.132, 0
5526421
 
#78

Scientific Exchange Building Blocks: R-004450
Otava (Virtual): 10002725
ChemDB: 6378420
PubChem: 4572233
AKOS (make-on-demand): AKOS003848469...5 total

ref: mol2, SDF, SMILES, flexibase
2.44,6.56,-11.34,1,6,0, 299.71, 7
23379292
 
#79

Scientific Exchange Building Blocks: Q-085668
Otava (Virtual): 10002747
ChemDB: 6366043
PubChem: 4130887
SureChEMBL: SCHEMBL9987888...6 total

ref: mol2, SDF, SMILES, flexibase
1.72,4.95,-10.53,0,5,0, 310.781, 4
mid: mol2, SDF, SMILES, flexibase
1.72,7.17,-54.04,1,5,1, 311.789, 4
6047290
 
#80

Scientific Exchange Building Blocks: Q-071397
Otava (Virtual): 5615346
ChemDB: 6356362
PubChem: 4096881
AKOS (make-on-demand): AKOS003867162...5 total

ref: mol2, SDF, SMILES, flexibase
1.72,5.3,-9.39,1,5,0, 276.745, 6
5900057
 
#81

Molport: MolPort-019-096-957
Scientific Exchange Building Blocks: Q-066896
AKOS: AKOS003873904
Alinda Building Blocks: ALBB-019035
ChemDiv BuildingBlocks: BB57-2818...10 total

ref: mol2, SDF, SMILES, flexibase
0.94,-0.38,-56.53,1,6,-1, 303.747, 5
lo: mol2, SDF, SMILES, flexibase
0.42,1.63,-19.61,2,6,0, 304.755, 5

Similar to: 21309301, 357405, 358426, 449737, ... 4 in total.
5531905
 
#82

Molport: MolPort-003-819-376
Scientific Exchange Building Blocks: Q-057491
Zylexa Pharma BB: ZP-BB-CD017067
Innovapharm BB Make on Demand: BBV-00075245
AKOS BB (make-on-demand): AKOS015865895...7 total

ref: mol2, SDF, SMILES, flexibase
0.90,3.74,-36.5,1,5,-1, 216.22, 2
5867343
 
#83

Scientific Exchange Building Blocks: Q-035981
PubChem: 2069282
SureChEMBL: SCHEMBL9377909
ref: mol2, SDF, SMILES, flexibase
1.94,4.75,-9.36,2,4,0, 181.239, 4

Similar to: 8767572, 41602101, 41602321,
22126898
 
#84

Scientific Exchange Building Blocks: POD_95/0844
AKOS: AKOS003186553
Zylexa Pharma BB: ZP-BB-CD016901
Innovapharm BB Make on Demand: BBV-00075047
Ambinter: Amb8472844...6 total

ref: mol2, SDF, SMILES, flexibase
2.14,4.64,-11.7,2,3,0, 183.214, 1

Similar to: 31992110, 31992113, 31992115, 31992118, ... 4 in total.
58863846
 
#85

Scientific Exchange Building Blocks: POD_76/0905
ref: mol2, SDF, SMILES, flexibase
3.14,10.55,-56.95,0,7,-1, 401.398, 3
58863840
 
#86

Scientific Exchange Building Blocks: POD_53/0614
Fluorochem (Depleted): 062198
Oakwood Chemical (Depleted): 062198
PubChem: 12222718
SureChEMBL: SCHEMBL11774602...5 total

ref: mol2, SDF, SMILES, flexibase
-0.16,2.71,-48.17,2,3,1, 177.655, 2
mid: mol2, SDF, SMILES, flexibase
-0.16,1.38,-6.5,1,3,0, 176.647, 2

Similar to: 37831351, 37832966, 37833789, 37834351, 37834739, ... 6 in total.
58863837
 
#87

Scientific Exchange Building Blocks: POD_41/0634
Enamine Building Blocks: EN300-188095
PubChem: 68384928
Enamine BB Make on Demand: BBV-43755470
UORSY BB Make-on-demand: BBV-43755470...5 total

ref: mol2, SDF, SMILES, flexibase
1.69,3.95,-7.11,2,4,0, 187.202, 2
lo: mol2, SDF, SMILES, flexibase
1.69,4.45,-33.67,3,4,1, 188.21, 2
17315051
 
#88

Scientific Exchange Building Blocks: POD_35/0093
Ark Pharm Building Blocks: AK126672
Bide Pharmatech BB: BD102418
Chembo Pharma: KB-41712
EndoTherm: ENH093...15 total

ref: mol2, SDF, SMILES, flexibase
-0.95,-2.98,-33.7,1,5,-1, 112.068, 0
mid: mol2, SDF, SMILES, flexibase
-1.41,-0.68,-53.57,3,5,1, 114.084, 0
hi: mol2, SDF, SMILES, flexibase
-0.95,-2.51,-41.77,2,5,0, 113.076, 0
hi: mol2, SDF, SMILES, flexibase
-0.49,-6.27,-115.06,0,5,-2, 111.06, 0
hi: mol2, SDF, SMILES, flexibase
-0.95,-4.33,-52.58,1,5,-1, 112.068, 0
58863826
 
#89

Scientific Exchange Building Blocks: POD_25/0891
ref: mol2, SDF, SMILES, flexibase
1.61,5.54,-51.55,1,5,-1, 234.231, 5
20421285
 
#90

eMolecules: 1946971
Scientific Exchange Building Blocks: M-963122
AKOS: AKOS002832944
Aldrich CPR: S658162|ALDRICH
Maybridge: DP01314...14 total

ref: mol2, SDF, SMILES, flexibase
0.45,0.64,-12.14,2,4,0, 189.284, 4
ref: mol2, SDF, SMILES, flexibase
0.41,0.78,-14.37,2,4,0, 189.284, 4
lo: mol2, SDF, SMILES, flexibase
0.45,2.92,-56.83,3,4,1, 190.292, 4

Similar to: 6385354,
16958091
 
#91

Scientific Exchange Building Blocks: M-935646
AKOS: AKOS003744288
Zylexa Pharma BB: ZP-BB-CD016984
Innovapharm BB Make on Demand: BBV-00027039, BBV-00075149
Innovapharm Make-on-Demand: VT-00604043...6 total

ref: mol2, SDF, SMILES, flexibase
2.17,5.57,-7.91,1,3,0, 212.252, 0
8215202
 
#92

Scientific Exchange Building Blocks: M-881030
PubChem: 9349725
ref: mol2, SDF, SMILES, flexibase
1.67,7.06,-15.86,0,6,0, 296.282, 3

Similar to: 8906124,
58863807
 
#93

Scientific Exchange Building Blocks: M-880794
PubChem: 17297212
ref: mol2, SDF, SMILES, flexibase
2.18,8.57,-92.94,0,8,-2, 339.259, 5
8191364
 
#94

Scientific Exchange Building Blocks: M-880788
PubChem: 9326522
Enamine BB Make on Demand: BBV-36777919
UORSY BB Make-on-demand: BBV-36777919
ref: mol2, SDF, SMILES, flexibase
1.41,7.04,-59.77,0,6,-1, 281.247, 2

Similar to: 8906124,
58863793
 
#95

Scientific Exchange Building Blocks: M-586871
Enamine BB Make on Demand: BBV-45710989
ref: mol2, SDF, SMILES, flexibase
2.64,7.92,-10.14,2,3,0, 251.333, 3
mid: mol2, SDF, SMILES, flexibase
2.64,8.33,-29.02,3,3,1, 252.341, 3
58863790
 
#96

Scientific Exchange Building Blocks: M-465098
ref: mol2, SDF, SMILES, flexibase
2.71,10.43,-44.87,0,5,-1, 342.758, 4
lo: mol2, SDF, SMILES, flexibase
2.71,8.46,-15.81,1,5,0, 343.766, 4
58863787
 
#97

Scientific Exchange Building Blocks: M-465098
ref: mol2, SDF, SMILES, flexibase
2.71,10.4,-46.62,0,5,-1, 342.758, 4
lo: mol2, SDF, SMILES, flexibase
2.71,8.41,-17.08,1,5,0, 343.766, 4
19797593
 
#98

Scientific Exchange Building Blocks: M-316804
UORSY BB Make-on-demand: BBV-210069
ref: mol2, SDF, SMILES, flexibase
2.09,4.02,-43.38,3,4,1, 289.186, 3
hi: mol2, SDF, SMILES, flexibase
2.09,3.19,-47.17,3,4,1, 289.186, 3
hi: mol2, SDF, SMILES, flexibase
2.09,1.77,-9.61,2,4,0, 288.178, 3

Similar to: 20608826, 26486139, 8309682, 7613158, ... 4 in total.
19797592
 
#99

Scientific Exchange Building Blocks: M-316803
UORSY BB Make-on-demand: BBV-210086
ref: mol2, SDF, SMILES, flexibase
2.09,4.16,-38.59,3,4,1, 289.186, 3
hi: mol2, SDF, SMILES, flexibase
2.09,3.33,-44.06,3,4,1, 289.186, 3
hi: mol2, SDF, SMILES, flexibase
2.09,1.91,-8.22,2,4,0, 288.178, 3

Similar to: 20803708, 20803784, 7613183,
19797590
 
#100

Scientific Exchange Building Blocks: M-316797
UORSY BB Make-on-demand: BBV-5124579
ref: mol2, SDF, SMILES, flexibase
1.86,4.37,-42.35,3,4,1, 268.768, 3
hi: mol2, SDF, SMILES, flexibase
1.86,3.54,-47.2,3,4,1, 268.768, 3
hi: mol2, SDF, SMILES, flexibase
1.86,2.12,-10.4,2,4,0, 267.76, 3

Similar to: 20800094, 20810188, 20810339,

Old detail retrieval took 3 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 = 447 ) limit 0,100

Smiles were