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
157367
 
#1

ChemMol: 97800737, 30111521, 44016416
eMolecules: 542745
AK Scientific: R332
AKOS: AKOS002657058
Alfa-Aesar: B20647...68 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.13,-4.55,1,2,0, 222.029, 0
4036705
 
#2

ChemMol: 30116726
eMolecules: 831480
Molport: MolPort-001-029-706
Scientific Exchange: X-052596
Scientific Exchange (make on demand): Z-043282...148 total

ref: mol2, SDF, SMILES, flexibase
1.71,3.34,-7.22,2,2,0, 154.238, 0
mid: mol2, SDF, SMILES, flexibase
1.71,3.73,-28.1,3,2,1, 155.246, 0

Similar to: 35874553,
16951622
 
#3

ChemMol: 44015180, 44015129
eMolecules: 836806
Scientific Exchange (make on demand): K-020994
AK Scientific: W8251
AKOS: AKOS000122272...75 total

ref: mol2, SDF, SMILES, flexibase
2.19,3.95,-6.92,2,2,0, 168.265, 0
mid: mol2, SDF, SMILES, flexibase
2.19,4.34,-28.38,3,2,1, 169.273, 0

Similar to: 17159881, 22173468, 22173470, 32135907, 32135908, ... 25 in total.
17159881
 
#4

ChemMol: 44015180, 44015129
eMolecules: 836806
Scientific Exchange (make on demand): K-020994
AK Scientific: W8251
AKOS: AKOS000122272...76 total

ref: mol2, SDF, SMILES, flexibase
2.19,3.95,-6.9,2,2,0, 168.265, 0
mid: mol2, SDF, SMILES, flexibase
2.19,4.34,-28.41,3,2,1, 169.273, 0

Similar to: 22173468, 22173470, 32135907, 32135908, 34332198, ... 11 in total.
3877612
 
#5

ChemMol: 96707922
eMolecules: 836798
Scientific Exchange (make on demand): POD_45/0219, POD_60/0020
AK Scientific: 4017AE, 6646AD
AKOS: AKOS000122783...61 total

ref: mol2, SDF, SMILES, flexibase
3.62,6.26,-4.61,2,2,0, 234.368, 1
mid: mol2, SDF, SMILES, flexibase
3.62,6.49,-27.22,3,2,1, 235.376, 1

Similar to: 39284761,
4240013
 
#6

eMolecules: 836931
Scientific Exchange: POD_12/0407
AKOS: AKOS000304030
Alinda Building Blocks: ALBB-000035
ChemDiv BuildingBlocks: BB55-0010...25 total

ref: mol2, SDF, SMILES, flexibase
3.01,-6.49,-8.93,3,4,0, 306.431, 3

Similar to: 42176078, 2182083,
1722947
 
#7

eMolecules: 828840
AK Scientific: V3752
AKOS: AKOS000200904
Alinda: IBS-L0181365
Alinda Building Blocks: ALBB-000043...61 total

ref: mol2, SDF, SMILES, flexibase
0.08,-1.46,-9.91,3,4,0, 186.236, 2

Similar to: 32147077, 34446396,
357408
 
#8

ChemMol: 2200029, 97802018, 44022763, 30110769, 80100029
eMolecules: 828858
Scientific Exchange (make on demand): M-169103
AK Scientific: X6042
AKOS: AKOS000146505...51 total

ref: mol2, SDF, SMILES, flexibase
1.27,0.45,-9.11,3,4,0, 228.317, 3

Similar to: 34485967, 34974913, 37054407,
142735
 
#9

ChemMol: 2200002, 80100002
eMolecules: 828212
Scientific Exchange (make on demand): M-089707
AK Scientific: V6482
AKOS: AKOS000150934...47 total

ref: mol2, SDF, SMILES, flexibase
1.99,-6.63,-8.97,3,4,0, 254.355, 3

Similar to: 2182083, 34446397, 42176078,
2576724
 
#10

eMolecules: 828844
Scientific Exchange (make on demand): F-203911
AK Scientific: V3753
AKOS: AKOS000141345
Aldrich CPR: CDS005596|ALDRICH...52 total

ref: mol2, SDF, SMILES, flexibase
0.46,-0.61,-9.53,3,4,0, 200.263, 3

Similar to: 26513894, 34974907,
556245
 
#11

ChemMol: 80100040, 2200040
eMolecules: 3763581
Scientific Exchange (make on demand): M-532380
AK Scientific: 5510AD
AKOS: AKOS000148338...47 total

ref: mol2, SDF, SMILES, flexibase
1.48,2.38,-10.15,3,4,0, 262.334, 4

Similar to: 32112426, 32122427,
141883
 
#12

ChemMol: 80100005, 2200005
eMolecules: 729305
Molport: MolPort-000-900-610
Scientific Exchange (make on demand): M-169096
AK Scientific: 3448AD...60 total

ref: mol2, SDF, SMILES, flexibase
1.78,2.28,-9.81,3,4,0, 248.307, 3

Similar to: 38222664,
2565469
 
#13

eMolecules: 836923
AK Scientific: 5396AD
AKOS: AKOS000161977
Alinda: IVK/9120446
Alinda Building Blocks: ALBB-000049...31 total

ref: mol2, SDF, SMILES, flexibase
2.18,3.03,-9.68,3,4,0, 262.334, 3
hi: mol2, SDF, SMILES, flexibase
2.18,3.09,-48.64,2,4,-1, 261.326, 3

Similar to: 14224050, 34959311, 37011266,
286799
 
#14

ChemMol: 2200552, 80100560
eMolecules: 836925
Scientific Exchange (make on demand): Q-021636
AKOS: AKOS000155036
Alinda: IBS-L0063876...33 total

ref: mol2, SDF, SMILES, flexibase
2.98,-4.02,-9.07,3,4,0, 290.388, 3

Similar to: 1157824, 14224050, 14224068, 14224133, 14224134, ... 5 in total.
369224
 
#15

eMolecules: 836929
AK Scientific: 6682AD
AKOS: AKOS000115403
Alinda: IBS-L0181371
Alinda Building Blocks: ALBB-000051...38 total

ref: mol2, SDF, SMILES, flexibase
1.79,-5.16,-10.73,3,5,0, 278.333, 4

Similar to: 3210859, 14224265, 17073596, 17091441, 39370697, ... 5 in total.
143547
 
#16

ChemMol: 2200000, 80100000
eMolecules: 836927
Scientific Exchange (make on demand): T-028742, E-083918
AK Scientific: 6678AD
AKOS: AKOS000115402...55 total

ref: mol2, SDF, SMILES, flexibase
1.84,1.57,-10.66,3,5,0, 278.333, 4

Similar to: 1167279, 14224199, 14224201,
286765
 
#17

ChemMol: 2200548, 80100556
eMolecules: 848816
Scientific Exchange (make on demand): E-009989
AK Scientific: 5394AD
AKOS: AKOS000115404...48 total

ref: mol2, SDF, SMILES, flexibase
2.46,2.71,-9.33,3,4,0, 282.752, 3
hi: mol2, SDF, SMILES, flexibase
2.46,2.84,-43.56,2,4,-1, 281.744, 3

Similar to: 14223894,
314605
 
#18

eMolecules: 846477
Molport: MolPort-000-889-145
Scientific Exchange (make on demand): E-009986
AKOS: AKOS000307698
Alinda: IVK/9120775...34 total

ref: mol2, SDF, SMILES, flexibase
3.06,-5.53,-8.52,3,4,0, 317.197, 3

Similar to: 14223913, 14223917, 14223970, 14223977, 14223979, ... 6 in total.
360847
 
#19

eMolecules: 846479
AK Scientific: 5252AE
AKOS: AKOS000307656
Alinda: IVK/4031015
Alinda Building Blocks: ALBB-000055...34 total

ref: mol2, SDF, SMILES, flexibase
3.06,3.21,-8.74,3,4,0, 317.197, 3
mid: mol2, SDF, SMILES, flexibase
3.06,3.35,-41.67,2,4,-1, 316.189, 3

Similar to: 1112379, 1112425, 14225007, 34647472, ... 4 in total.
167758
 
#20

ChemMol: 2200030, 80100030
eMolecules: 45579246, 828842
Scientific Exchange (make on demand): M-194966
AK Scientific: X8164
AKOS: AKOS000200216...77 total

ref: mol2, SDF, SMILES, flexibase
0.33,0.35,-9.69,2,4,0, 200.263, 2

Similar to: 32147077, 34335440, 34428501,
143138
 
#21

ChemMol: 2200019, 80100019
eMolecules: 828848
Scientific Exchange (make on demand): T-060916
AK Scientific: V3751
AKOS: AKOS000115556...58 total

ref: mol2, SDF, SMILES, flexibase
1.08,2.08,-9.35,2,4,0, 228.317, 4

Similar to: 1558010, 37079190, 37094355,
2821740
 
#22

ChemMol: 2200041, 80100041
eMolecules: 2203236
Molport: MolPort-000-900-619
Scientific Exchange (make on demand): M-532730
AK Scientific: 7358AD...36 total

ref: mol2, SDF, SMILES, flexibase
2.08,-4.33,-9.08,2,4,0, 256.371, 6

Similar to: 34955648, 34974927, 36789577, 36789582, 37053071, ... 25 in total.
128956
 
#23

ChemMol: 80100016, 2200016
eMolecules: 828856
Scientific Exchange (make on demand): X-011806
AK Scientific: V8606
AKOS: AKOS000115555...75 total

ref: mol2, SDF, SMILES, flexibase
0.73,1.51,-9.86,2,4,0, 226.301, 2

Similar to: 34974909, 37052823, 37094355, 37097892, ... 4 in total.
128944
 
#24

ChemMol: 2200015, 80100015
eMolecules: 723320
Scientific Exchange (make on demand): T-066451
Acros Organics: TL00817
AK Scientific: V7026...72 total

ref: mol2, SDF, SMILES, flexibase
1.24,2.36,-8.94,2,4,0, 240.328, 2

Similar to: 34974909, 37094355, 41681763,
246428
 
#25

ChemMol: 80100013, 2200013
eMolecules: 1365165
Scientific Exchange (make on demand): R-079266
AKOS: AKOS000200951
Alinda: IBS-L0060215...49 total

ref: mol2, SDF, SMILES, flexibase
1.74,-5.14,-9.68,2,4,0, 254.355, 2

Similar to: 37054920,
128959
 
#26

ChemMol: 80100018, 83603178, 2200018
eMolecules: 707151
Scientific Exchange (make on demand): R-099722
ACB Blocks: MIX-0615
Acros Organics: TL00826...94 total

ref: mol2, SDF, SMILES, flexibase
0.17,-0.09,-10.04,2,5,0, 242.3, 2

Similar to: 34456636, 37054358, 42460385,
3885337
 
#27

eMolecules: 724287, 45576075
Scientific Exchange (make on demand): M-697208
AK Scientific: V4462
AKOS: AKOS000115604
Aldrich CPR: CDS006086|ALDRICH...62 total

ref: mol2, SDF, SMILES, flexibase
0.15,-0.09,-9.76,2,5,0, 242.3, 2
45801
 
#28

ChemMol: 44021254, 80100876, 2200869
eMolecules: 727737
Scientific Exchange (make on demand): R-051499
AK Scientific: Y9098
AKOS: AKOS000111587...55 total

ref: mol2, SDF, SMILES, flexibase
0.89,4.28,-9.36,2,3,0, 204.273, 1

Similar to: 36789646, 37814444, 37826217,
31348
 
#29

ChemMol: 2200532, 80100540
eMolecules: 836939
Scientific Exchange (make on demand): X-046698
AK Scientific: V6315
AKOS: AKOS000111604...64 total

ref: mol2, SDF, SMILES, flexibase
-0.17,1.84,-9.62,2,4,0, 206.245, 1

Similar to: 34347727, 44683675,
43840
 
#30

ChemMol: 2200889, 80100896
eMolecules: 1431834
Molport: MolPort-001-521-675
Scientific Exchange (make on demand): E-086578
AK Scientific: 5903AD...53 total

ref: mol2, SDF, SMILES, flexibase
2.11,-2.65,-9.38,3,3,0, 218.3, 2

Similar to: 36797536, 36797537, 36797620, 37000999, 37001001, ... 18 in total.
54240
 
#31

eMolecules: 626422
Scientific Exchange (make on demand): X-029547
AK Scientific: 6397AA
AKOS: AKOS000202106
Aldrich CPR: R397091|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
0.52,1.65,-14.9,2,4,0, 179.175, 4
128107
 
#32

ChemMol: 80100544, 2200536
eMolecules: 841066
Scientific Exchange (make on demand): M-054673
AK Scientific: V6636
AKOS: AKOS000111761...65 total

ref: mol2, SDF, SMILES, flexibase
0.38,3.36,-11.06,2,3,0, 190.246, 1

Similar to: 33753347, 37094295, 37097707, 37804668, 37811998, ... 8 in total.
19481507
 
#33

eMolecules: 8321056
Molport: MolPort-027-640-718, MolPort-003-846-917
AK Scientific: 0319AB
AKOS: AKOS000185377
Aldrich CPR: CBR00099|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
0.48,1.87,-8.84,1,3,0, 124.143, 1
158804
 
#34

ChemMol: 83603253, 44027900, 42301747, 30115546
eMolecules: 720372
Scientific Exchange (make on demand): POD_22/0262
A&J Pharmtech: AJ-02637, AJ-02317
ACB Blocks: MIX-1027...78 total

ref: mol2, SDF, SMILES, flexibase
0.55,3.11,-11.18,0,3,0, 138.17, 1

Similar to: 6666537,
4576328
 
#35

ChemMol: 44021848, 42301638, 83602609
eMolecules: 542743, 704424
Scientific Exchange (make on demand): POD_95/0614
ACB Blocks: PAR-0001
Acros Organics: 29600...79 total

ref: mol2, SDF, SMILES, flexibase
1.71,4.2,-8.2,1,3,0, 172.187, 2

Similar to: 34386471, 34956916, 34956919,
8701127
 
#36

ChemMol: 42301639
eMolecules: 724209, 5414011
Scientific Exchange (make on demand): F-337820
A&J Pharmtech: AJ-02344
Acros Organics: SP01369...65 total

ref: mol2, SDF, SMILES, flexibase
1.49,3.4,-8.19,1,3,0, 178.216, 2
ref: mol2, SDF, SMILES, flexibase
1.49,3.3,-7.38,1,3,0, 178.216, 2

Similar to: 34956903, 38002032,
309087
 
#37

eMolecules: 1405642
Molport: MolPort-000-998-505
Scientific Exchange (make on demand): H-035442
AK Scientific: 4692AD
AKOS: AKOS000100226...43 total

ref: mol2, SDF, SMILES, flexibase
2.69,2.4,-12.1,0,2,0, 187.242, 2

Similar to: 34362309,
4244055
 
#38

eMolecules: 848260
Molport: MolPort-000-889-633
Scientific Exchange (make on demand): M-143011
AKOS: AKOS000111470
Aldrich CPR: CDS002698|ALDRICH...45 total

ref: mol2, SDF, SMILES, flexibase
0.57,1.26,-10.77,1,3,0, 110.116, 1
ref: mol2, SDF, SMILES, flexibase
0.57,1.27,-8.01,1,3,0, 110.116, 1

Similar to: 34557653, 38803726,
59446
 
#39

ChemMol: 44019709
eMolecules: 441191
ACB Blocks: MIX-0782
AK Scientific: 7295AD
AKOS: AKOS000121678...59 total

ref: mol2, SDF, SMILES, flexibase
3.05,8.89,-9.4,0,3,0, 248.285, 3

Similar to: 732131, 732136, 732137, 732139, 732153, ... 13 in total.
241385
 
#40

ChemMol: 96705482, 44012948, 83602921
eMolecules: 724662
Acros Organics: CC03504
AK Scientific: Y7684
AKOS: AKOS000118350...76 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.65,-8.14,0,3,0, 158.16, 1

Similar to: 34380754,
65247
 
#41

eMolecules: 659612
ACB Blocks: MIX-0222
Acros Organics: 40852
AK Scientific: 1170AB
AKOS: AKOS000100588...70 total

ref: mol2, SDF, SMILES, flexibase
1.82,6.44,-11.47,0,3,0, 200.241, 2

Similar to: 32115934, 32222839,
4384263
 
#42

eMolecules: 1522543
Acros Organics: CC25104
AK Scientific: Y8403
AKOS: AKOS000505636
Aldrich CPR: CDS017661|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
0.11,3.22,-8.55,0,3,0, 124.143, 1
mid: mol2, SDF, SMILES, flexibase
0.11,3.66,-35.63,1,3,1, 125.151, 1
109495
 
#43

ChemMol: 83602787, 44027915, 30112115
eMolecules: 527539
Scientific Exchange (make on demand): Z-028712
A&J Pharmtech: AJ-02311
ACB Blocks: MIX-0270...91 total

ref: mol2, SDF, SMILES, flexibase
0.11,2.03,-11.86,0,3,0, 110.116, 1

Similar to: 34324446,
4255822
 
#44

ChemMol: 83602747, 44031549
eMolecules: 816634
Scientific Exchange Building Blocks: F-405935
ACB Blocks: MIX-1062
AK Scientific: W5294...66 total

ref: mol2, SDF, SMILES, flexibase
0.48,2.9,-8.29,0,3,0, 124.143, 2

Similar to: 34925188,
12396620
 
#45

ChemMol: 97805301
eMolecules: 816650
Scientific Exchange (make on demand): F-337747
AK Scientific: Y8681
AKOS: AKOS000321426...51 total

ref: mol2, SDF, SMILES, flexibase
0.84,3.42,-10.68,0,3,0, 138.17, 2
555935
 
#46

ChemMol: 44012999
eMolecules: 816658
Molport: MolPort-000-929-614
Scientific Exchange: H-074075
Acorn PharmaTech: ACN-P000867...64 total

ref: mol2, SDF, SMILES, flexibase
1.38,5.44,-11.82,0,3,0, 172.187, 2

Similar to: 5950963,
341087
 
#47

eMolecules: 846605
Scientific Exchange (make on demand): T-027950
AK Scientific: 4951AE
AKOS: AKOS000308005
Aldrich CPR: TMT00282|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
2.29,1.77,-8.6,0,2,0, 184.622, 3

Similar to: 39250374,
1668389
 
#48

ChemMol: 44028830
eMolecules: 622259
Scientific Exchange (make on demand): POD_19/0006
AK Scientific: 7568AA, HTS001010
AKOS: AKOS000116228...72 total

ref: mol2, SDF, SMILES, flexibase
0.99,3.33,-9.6,4,4,0, 148.169, 1
139160
 
#49

ChemMol: 44000208
eMolecules: 830505
Scientific Exchange (make on demand): E-021029
AK Scientific: 1677AB, HTS001230
AKOS: AKOS000116177...73 total

ref: mol2, SDF, SMILES, flexibase
0.24,3.01,-7.18,3,4,0, 138.174, 1

Similar to: 25491319,
19701980
 
#50

ChemMol: 44023346, 44014383, 83602980
eMolecules: 724310
Molport: MolPort-004-073-380
Scientific Exchange (make on demand): M-697217
Acros Organics: CC29314...94 total

ref: mol2, SDF, SMILES, flexibase
0.66,1.47,-3.82,2,3,0, 192.262, 2

Similar to: 32009007,
17045419
 
#51

ChemMol: 44025207
eMolecules: 487575
Scientific Exchange (make on demand): Z-069987
ACB Blocks: ATD-0019
Acros Organics: DP01661...87 total

ref: mol2, SDF, SMILES, flexibase
0.76,1.1,-6.97,2,3,0, 169.131, 1
59747
 
#52

ChemMol: 30113198, 97801451, 44030650
eMolecules: 603889
Scientific Exchange (make on demand): Z-069984
ACB Blocks: ATD-0011
AK Scientific: V4830...81 total

ref: mol2, SDF, SMILES, flexibase
0.91,2.07,-7.37,2,3,0, 143.215, 1

Similar to: 3882373,
2531015
 
#53

ChemMol: 97804679, 83602745, 44031637
eMolecules: 704883
Scientific Exchange (make on demand): H-040397
A&J Pharmtech: AJ-02318, AJ-02315
ACB Blocks: MIX-0151...68 total

ref: mol2, SDF, SMILES, flexibase
0.33,2.48,-11.37,0,3,0, 124.143, 1
380802
 
#54

eMolecules: 707273
ACB Blocks: MIX-0624
AK Scientific: W4825
AKOS: AKOS000164345
Aldrich CPR: CDS010491|ALDRICH...60 total

ref: mol2, SDF, SMILES, flexibase
0.33,2.59,-8.77,0,3,0, 124.143, 1

Similar to: 4283588,
4716367
 
#55

eMolecules: 704428, 816668
Scientific Exchange (make on demand): K-021015
ACB Blocks: PAR-0007
AKOS: AKOS000112498
Aldrich CPR: CDS000806|ALDRICH...54 total

ref: mol2, SDF, SMILES, flexibase
2.16,4.88,-8.02,1,3,0, 186.214, 2

Similar to: 8701126, 34386471, 34956919,
4674334
 
#56

eMolecules: 704426, 816678
Scientific Exchange (make on demand): K-041975
ACB Blocks: PAR-0004
AK Scientific: V5404
AKOS: AKOS000112318...59 total

ref: mol2, SDF, SMILES, flexibase
2.39,4.72,-7.56,1,3,0, 206.632, 2
18254894
 
#57

ChemMol: 83602601, 42301642
eMolecules: 722750
Scientific Exchange (make on demand): K-021038
ACB Blocks: PAR-0008
Acros Organics: SEW05757...80 total

ref: mol2, SDF, SMILES, flexibase
1.77,3.45,-8.5,1,4,0, 202.213, 3
ref: mol2, SDF, SMILES, flexibase
1.77,3.51,-8.75,1,4,0, 202.213, 3

Similar to: 26513538, 31886337, 34956902, 34963109, 44198804, ... 5 in total.
18161766
 
#58

eMolecules: 836744
Scientific Exchange: K-041976
ACB Blocks: PAR-0193
AK Scientific: 1209AE
AKOS: AKOS000112378...39 total

ref: mol2, SDF, SMILES, flexibase
2.52,4.82,-7.57,1,3,0, 251.083, 2
ref: mol2, SDF, SMILES, flexibase
2.52,4.77,-7.5,1,3,0, 251.083, 2

Similar to: 31885610, 31886317,
19092639
 
#59

ChemMol: 44030394
Scientific Exchange (make on demand): F-337647
AK Scientific: 7859AE
Aldrich CPR: CDS006278|ALDRICH
Alinda Building Blocks: ALBB-000201...37 total

ref: mol2, SDF, SMILES, flexibase
-0.27,0.83,-6.88,0,3,0, 143.186, 2

Similar to: 42207670,
19092247
 
#60

Scientific Exchange (make on demand): F-337769
AKOS: AKOS000321377
Alinda Building Blocks: ALBB-000202
Ark Pharm Building Blocks: AK-57608
Chembo Pharma: KB-90732...33 total

ref: mol2, SDF, SMILES, flexibase
-0.46,4.81,-13.03,0,3,0, 124.143, 2
mid: mol2, SDF, SMILES, flexibase
-0.46,5.32,-34.89,1,3,1, 125.151, 2
16989831
 
#61

ChemMol: 30101330, 44001749
eMolecules: 481024
Scientific Exchange (make on demand): Z-052201
ACB Blocks: ABT-0065
Acros Organics: 13640...119 total

ref: mol2, SDF, SMILES, flexibase
2.63,3.72,-5.7,2,2,0, 184.651, 0
4243132
 
#62

ChemMol: 42301641, 44021850
eMolecules: 704430, 724231
ACB Blocks: PAR-0027
Acros Organics: SP01479
AK Scientific: Z2629...73 total

ref: mol2, SDF, SMILES, flexibase
1.87,4.21,-8.07,1,3,0, 190.177, 2
ref: mol2, SDF, SMILES, flexibase
1.87,4.27,-7.97,1,3,0, 190.177, 2

Similar to: 34956901, 34956906,
299132
 
#63

eMolecules: 816344
Scientific Exchange (make on demand): M-142669
ACB Blocks: MIX-0297
AK Scientific: 3371AE
AKOS: AKOS000266420...45 total

ref: mol2, SDF, SMILES, flexibase
1.76,5.24,-11.38,0,4,0, 216.24, 4

Similar to: 34925195, 34925196,
96556
 
#64

eMolecules: 705911
ACB Blocks: MIX-0383
AK Scientific: 3372AE
AKOS: AKOS000266187
Aldrich CPR: CDS001965|ALDRICH...41 total

ref: mol2, SDF, SMILES, flexibase
2.20,2.41,-13.73,0,4,0, 244.294, 4

Similar to: 34925197, 34925198, 34925284, 34959368, 43994901, ... 6 in total.
167174
 
#65

ChemMol: 1200323, 44008997, 98001236, 1037434
eMolecules: 512074
Acros Organics: TL00446
AK Scientific: W8187
AKOS: AKOS000103764...64 total

ref: mol2, SDF, SMILES, flexibase
2.34,2.63,-10.06,0,2,0, 172.13, 3
96513
 
#66

eMolecules: 836886
Molport: MolPort-000-886-110
AK Scientific: 9439AE
AKOS: AKOS000304062
Aldrich CPR: CDS015152|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
1.67,3.48,-6.6,0,3,0, 180.203, 4

Similar to: 6406365, 6406368, 34361676, 34925249, ... 4 in total.
167288
 
#67

eMolecules: 890294
AK Scientific: HTS004790
AKOS: AKOS001086870
Aldrich CPR: PH011638|ALDRICH
Alfa-Aesar: L12522...43 total

ref: mol2, SDF, SMILES, flexibase
3.85,1.57,-5.66,0,3,0, 207.254, 4
2529890
 
#68

ChemMol: 1202151, 98002317, 2100163
eMolecules: 848262
AK Scientific: X2729
AKOS: AKOS000111485
Alfa-Aesar: H32849...64 total

ref: mol2, SDF, SMILES, flexibase
1.93,3.73,-10.77,0,3,0, 202.156, 4
257637
 
#69

eMolecules: 1405682
Scientific Exchange (make on demand): H-035162
AK Scientific: 8669AB
AKOS: AKOS000112594
Aldrich CPR: CDS001934|ALDRICH...59 total

ref: mol2, SDF, SMILES, flexibase
2.32,2.23,-7.53,0,2,0, 173.215, 2

Similar to: 16915405, 34362309, 38523549,
17744343
 
#70

ChemMol: 96705445, 83600683, 97801102, 44005055, 30112001
eMolecules: 905377, 526649
Scientific Exchange (make on demand): POD_52/0963, T-037271
AKOS: AKOS000320006, AKOS000320564, AKOS000113922
Alfa-Aesar: A16896...152 total

ref: mol2, SDF, SMILES, flexibase
1.14,3,-7.99,2,4,0, 186.236, 3
lo: mol2, SDF, SMILES, flexibase
1.14,3.26,-33.02,3,4,1, 187.244, 3

Similar to: 26479904,
107756
 
#71

ChemMol: 97801859, 1031182, 44024035
eMolecules: 836804
Scientific Exchange (make on demand): K-042009
Acorn PharmaTech: ACN-S003731
AKOS: AKOS000267320...77 total

ref: mol2, SDF, SMILES, flexibase
0.77,2.07,-8.12,2,4,0, 172.209, 2
lo: mol2, SDF, SMILES, flexibase
0.77,2.34,-33.39,3,4,1, 173.217, 2

Similar to: 26479904, 39284523,
4237832
 
#72

eMolecules: 1482289
Molport: MolPort-002-005-326
Scientific Exchange (make on demand): F-338034
ACB Blocks: MIX-0530
AKOS: AKOS015846472...48 total

ref: mol2, SDF, SMILES, flexibase
1.45,6.47,-13.12,0,4,0, 230.267, 4
mid: mol2, SDF, SMILES, flexibase
1.45,6.94,-37.24,1,4,1, 231.275, 4
303226
 
#73

eMolecules: 441235
Scientific Exchange (make on demand): H-087539
AKOS: AKOS000308778
Alinda: IVK/1033262
Alinda Building Blocks: ALBB-000281...38 total

ref: mol2, SDF, SMILES, flexibase
3.65,3.28,-11.98,0,4,0, 256.257, 5

Similar to: 366342, 383719, 2146854, 2986611, 4201739, ... 13 in total.
35825
 
#74

eMolecules: 631469
AK Scientific: 5060AD
AKOS: AKOS000275092
Alinda Building Blocks: ALBB-000285
Ark Pharm Building Blocks: AK124435...38 total

ref: mol2, SDF, SMILES, flexibase
1.37,2.6,-4.85,1,2,0, 130.578, 0
35824
 
#75

ChemMol: 30111518, 44014873, 83602985
eMolecules: 535289
Acros Organics: 35429
AK Scientific: R335
AKOS: AKOS000275091...85 total

ref: mol2, SDF, SMILES, flexibase
1.50,2.69,-4.89,1,2,0, 175.029, 0
967315
 
#76

ChemMol: 30110683, 97801062, 1203504, 44010869, 2100980
eMolecules: 502473
Scientific Exchange: T_01/0033
Scientific Exchange (make on demand): M-147571
Acorn PharmaTech: ACN-S001299...97 total

ref: mol2, SDF, SMILES, flexibase
1.06,1.58,-4.64,1,2,0, 146.975, 0
1049758
 
#77

ChemMol: 44001690
eMolecules: 838034
L99A/M102Q binders: ?MFCD00159634
A&J Pharmtech: AJ-00530
ACT Chemical BB: ACT05129...74 total

ref: mol2, SDF, SMILES, flexibase
0.93,1.48,-4.69,1,2,0, 102.524, 0
373340
 
#78

eMolecules: 836880
ACB Blocks: MIX-1076
AKOS: AKOS000304025
Alinda: IVK/0008076
Alinda Building Blocks: ALBB-000289...29 total

ref: mol2, SDF, SMILES, flexibase
4.24,4.17,-11.94,0,3,0, 310.271, 6

Similar to: 34645996, 34925966, 34925967,
214844
 
#79

eMolecules: 32355892, 836903, 25054936
Molport: MolPort-016-583-313
Scientific Exchange (make on demand): M-147615
AK Scientific: 0545AD, 4685AE
AKOS: AKOS000221734...54 total

ref: mol2, SDF, SMILES, flexibase
2.00,5.06,-7.65,2,3,0, 219.263, 2
2558382
 
#80

eMolecules: 840879
AK Scientific: 2363AF
AKOS: AKOS000220243
Alinda: IVK/0008022
Alinda Building Blocks: ALBB-000291...28 total

ref: mol2, SDF, SMILES, flexibase
1.95,5.17,-10.28,2,3,0, 219.263, 2

Similar to: 36888619, 53161237,
2383123
 
#81

eMolecules: 32355872, 818588
Molport: MolPort-016-583-281
Scientific Exchange (make on demand): M-142738
AK Scientific: X6050
AKOS: AKOS000205245...60 total

ref: mol2, SDF, SMILES, flexibase
1.39,4,-6.33,2,3,0, 173.219, 2

Similar to: 3628593, 3628594, 3628608, 26514314, ... 4 in total.
2390440
 
#82

eMolecules: 816842
AK Scientific: 3997AF
AKOS: AKOS000308124
Alinda Building Blocks: ALBB-000295
ChemDiv BuildingBlocks: BB55-3805...24 total

ref: mol2, SDF, SMILES, flexibase
0.81,4.09,-7.97,0,3,0, 152.197, 2
3880608
 
#83

eMolecules: 985794
Molport: MolPort-001-789-354
Scientific Exchange (make on demand): F-337835
AK Scientific: 7389AA
AKOS: AKOS000321206...35 total

ref: mol2, SDF, SMILES, flexibase
3.79,2.09,-11.19,0,2,0, 237.302, 2

Similar to: 439310,
874351
 
#84

ChemMol: 83602755, 96705579
eMolecules: 707275
ACB Blocks: MIX-0625
AK Scientific: Y5661
AKOS: AKOS000265785...51 total

ref: mol2, SDF, SMILES, flexibase
0.70,3.35,-11.1,0,3,0, 138.17, 2

Similar to: 6125641, 34925189,
187873
 
#85

eMolecules: 1097677
Molport: MolPort-001-833-247
Scientific Exchange (make on demand): POD_29/0146
AK Scientific: 7406AB
Aldrich CPR: S761796|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.71,-11.3,1,4,0, 233.267, 4

Similar to: 187861, 187864, 187869,
187869
 
#86

eMolecules: 1097677
Molport: MolPort-001-833-247
Scientific Exchange (make on demand): POD_29/0146
AK Scientific: 7406AB
Aldrich CPR: S761796|ALDRICH...38 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.91,-9.49,1,4,0, 233.267, 4

Similar to: 187873, 187861, 187864,
187864
 
#87

eMolecules: 1097677
Molport: MolPort-001-833-247
Scientific Exchange (make on demand): POD_29/0146
AK Scientific: 7406AB
Aldrich CPR: S761796|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
1.96,5.07,-7.98,1,4,0, 233.267, 4

Similar to: 187869, 187873, 187861,
187861
 
#88

eMolecules: 1097677
Molport: MolPort-001-833-247
Scientific Exchange (make on demand): POD_29/0146
AK Scientific: 7406AB
Aldrich CPR: S761796|ALDRICH...39 total

ref: mol2, SDF, SMILES, flexibase
1.96,4.7,-11.34,1,4,0, 233.267, 4

Similar to: 187864, 187869, 187873,
528010
 
#89

ChemMol: 1201077, 1037046, 98001815
eMolecules: 512076
Scientific Exchange (make on demand): M-513475
AK Scientific: X2905
AKOS: AKOS000104401...64 total

ref: mol2, SDF, SMILES, flexibase
1.99,2.06,-5.71,2,2,0, 159.135, 2
167204
 
#90

ChemMol: 98001657, 44006679, 1201848, 97801080, 1037048, 30110798
eMolecules: 512078
Acros Organics: 39991
AKOS: AKOS000104402
Alfa-Aesar: B20349...69 total

ref: mol2, SDF, SMILES, flexibase
1.63,1.93,-5.76,2,2,0, 159.135, 2
126157
 
#91

eMolecules: 48770329, 704925
Molport: MolPort-002-344-535
Scientific Exchange (make on demand): X-090581
ACB Blocks: ATI-0003
AK Scientific: V7739...105 total

ref: mol2, SDF, SMILES, flexibase
2.31,4.61,-6.4,2,2,0, 194.234, 1
mid: mol2, SDF, SMILES, flexibase
2.31,4.67,-33.3,1,2,-1, 193.226, 1
1009200
 
#92

eMolecules: 1503154
AK Scientific: V4963
AKOS: AKOS000117289
Aldrich CPR: CDS006177|ALDRICH, JRD0110|ALDRICH
Alinda: IVK/1012301...56 total

ref: mol2, SDF, SMILES, flexibase
2.53,5.19,-6.45,2,2,0, 208.261, 1
hi: mol2, SDF, SMILES, flexibase
2.53,5.25,-35.04,1,2,-1, 207.253, 1
lo: mol2, SDF, SMILES, flexibase
2.53,-0.86,-30.52,3,2,1, 209.269, 1

Similar to: 41656350, 41656628,
19737113
 
#93

eMolecules: 838099
Molport: MolPort-000-886-228
Scientific Exchange (make on demand): K-042116
AKOS: AKOS000212309
Alinda: IVK/9068123...37 total

ref: mol2, SDF, SMILES, flexibase
1.63,3.97,-12.36,0,5,0, 279.336, 7

Similar to: 39365514, 2578545,
2389322
 
#94

ChemMol: 44014948
eMolecules: 516405
Molport: MolPort-001-794-259
Scientific Exchange Building Blocks: F-332006
Acros Organics: 39737...39 total

ref: mol2, SDF, SMILES, flexibase
1.47,1.43,-2.13,0,2,0, 111.144, 1
3882373
 
#95

ChemMol: 44025209
eMolecules: 517158
Scientific Exchange (make on demand): Z-069993
ACB Blocks: ATD-0003
AK Scientific: 5122AB...65 total

ref: mol2, SDF, SMILES, flexibase
1.58,2.56,-7.42,2,3,0, 157.242, 1

Similar to: 59747,
4237831
 
#96

eMolecules: 1482288
Molport: MolPort-002-005-325
Scientific Exchange (make on demand): F-338037
ACB Blocks: MIX-0529
AK Scientific: 1697AF...48 total

ref: mol2, SDF, SMILES, flexibase
1.36,6.84,-12.83,0,4,0, 216.24, 4
mid: mol2, SDF, SMILES, flexibase
1.36,7.35,-41.78,1,4,1, 217.248, 4
2549373
 
#97

eMolecules: 846627
Molport: MolPort-000-889-173
Scientific Exchange (make on demand): F-337825
AK Scientific: 0271AF
Alinda Building Blocks: ALBB-000322...29 total

ref: mol2, SDF, SMILES, flexibase
2.04,1.55,-6.44,0,3,0, 194.23, 5

Similar to: 6273734, 6406365, 6406368, 34925251, ... 4 in total.
4541165
 
#98

eMolecules: 1482291
Scientific Exchange (make on demand): F-338036
ACB Blocks: MIX-0954
AK Scientific: 8188AC
AKOS: AKOS015847407...49 total

ref: mol2, SDF, SMILES, flexibase
2.02,7.07,-12.73,0,4,0, 244.294, 5
mid: mol2, SDF, SMILES, flexibase
2.02,7.4,-36.04,1,4,1, 245.302, 5
14987642
 
#99

eMolecules: 46474360, 23738827
Molport: MolPort-004-753-544, MolPort-006-066-497
Scientific Exchange (make on demand): F-337931
AK Scientific: 2949AE
Alinda Building Blocks: ALBB-000337...46 total

ref: mol2, SDF, SMILES, flexibase
2.09,4.37,-5.34,1,3,0, 194.621, 1
ref: mol2, SDF, SMILES, flexibase
2.09,4.36,-5.8,1,3,0, 194.621, 1
4290894
 
#100

eMolecules: 816776
Scientific Exchange (make on demand): F-337929
AK Scientific: 2665AF
AKOS: AKOS000314567
Alinda Building Blocks: ALBB-000338...30 total

ref: mol2, SDF, SMILES, flexibase
0.47,1.42,-8.79,1,3,0, 154.213, 2

Similar to: 39133912, 44198653,

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 = 838 ) limit 0,100

Smiles were