ZINC ID
| Supplier information; Representations
Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB
Annotations; Similarity | Structure
Click for quick 3D display |
|---|
Done
4969550
#1
  
 | eMolecules: 11929436
Molport: MolPort-003-353-735
AKOS: AKOS001300017
ChemDiv: C329-0025
Enamine: Z108635420...14 total
ref: mol2,
SDF,
SMILES,
flexibase
3.12,4.75,-13.09,1,6,0, 329.381, 6
Similar to: 7435642, 28015482, 31969348, 41580765, ... 4 in total.
|  |
71845828
#2
| Otava (Virtual): 1623997
UORSY Make-on-demand: PB296943386
PubChem: 60402679
AKOS (make-on-demand): AKOS008522232
ref: mol2,
SDF,
SMILES,
flexibase
4.27,6.64,-11.74,1,5,0, 392.278, 5
|  |
6729170
#3
| eMolecules: 15996309
Molport: MolPort-007-621-148
AKOS: AKOS001786551
ChemDiv: C329-0016
Mcule: MCULE-2397005518...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.75,-1.98,-15.42,1,6,0, 363.826, 6
Similar to: 31469663,
|  |
4969544
#4
| Otava (Virtual): 1623995
ChemDB: 6209855
PubChem: 4247279
AKOS (make-on-demand): AKOS001786550
Ambinter: Amb3493662...5 total
ref: mol2,
SDF,
SMILES,
flexibase
3.85,-1.31,-14.42,1,5,0, 351.79, 5
Similar to: 4969547, 4969548,
|  |
7945328
#5
| eMolecules: 16114589
Molport: MolPort-007-696-947
AKOS: AKOS001528484
Mcule: MCULE-7020706429
PKChem: PKC_02282...11 total
ref: mol2,
SDF,
SMILES,
flexibase
4.14,-1.73,-13.32,1,5,0, 347.827, 5
|  |
41184205
#6
| Otava (Virtual): 1623993
PubChem: 51229307
ref: mol2,
SDF,
SMILES,
flexibase
4.14,6.86,-12.31,1,5,0, 347.827, 5
Similar to: 21589171, 7962286,
|  |
7957175
#7
| Otava (Virtual): 1623992
PubChem: 9084283
ref: mol2,
SDF,
SMILES,
flexibase
4.14,-1.49,-12.83,1,5,0, 347.827, 5
Similar to: 7962286, 21589171,
|  |
7947219
#8
| eMolecules: 30675204
Molport: MolPort-003-263-675
AKOS: AKOS001148964
Enamine: Z108703712
Mcule: MCULE-5035746480...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.11,-1.5,-11.32,1,5,0, 347.827, 5
Similar to: 7962286, 21589171,
|  |
21523967
#9
| eMolecules: 17441160
Molport: MolPort-007-696-918
AKOS: AKOS001528166
Mcule: MCULE-3327000394
PKChem: PKC_01628...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.76,6.15,-13.58,1,5,0, 333.8, 5
|  |
4969541
#10
| Otava (Virtual): 1623989
PubChem: 7437451
AKOS (make-on-demand): AKOS001148003
ref: mol2,
SDF,
SMILES,
flexibase
3.74,-2.03,-13.28,1,5,0, 333.8, 5
|  |
428798
#11
| AKOS: AKOS001288521
Mcule: MCULE-2104510017
UORSY: PB108715796
Otava (Virtual): 1623988
ChemDB: 6209854...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.25,-1.15,-12.57,1,5,0, 317.345, 5
Similar to: 4969542, 4969547, 4969548, 7953189, 7962286, ... 11 in total.
|  |
6729176
#12
| eMolecules: 15996313
Molport: MolPort-005-698-554
AKOS: AKOS001786651
ChemDiv: C329-0023
Enamine: Z108703116...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.20,-1.11,-10.9,1,5,0, 317.345, 5
Similar to: 31958307, 42664852, 43063265,
|  |
32768062
#13
| AKOS: AKOS008057651
Mcule: MCULE-3241300178
UORSY: PB108775508
Otava (Virtual): 1623986
PubChem: 39995820...6 total
ref: mol2,
SDF,
SMILES,
flexibase
4.79,7.96,-13.03,1,5,0, 355.463, 6
Similar to: 21589024, 21633713, 32001256, 7948014, 7950807, ... 5 in total.
|  |
21633713
#14
| Otava (Virtual): 1623985
PubChem: 24502635
AKOS (make-on-demand): AKOS001148370
ref: mol2,
SDF,
SMILES,
flexibase
4.60,7.57,-13.2,1,5,0, 341.436, 6
Similar to: 32001256, 32768062, 21589024, 7950807, 7948014, ... 5 in total.
|  |
7950807
#15
| eMolecules: 16114587
Molport: MolPort-007-696-946
AKOS: AKOS001897989
Mcule: MCULE-3419662206
PKChem: PKC_02283...10 total
ref: mol2,
SDF,
SMILES,
flexibase
4.00,-1.41,-11.79,1,5,0, 327.409, 6
Similar to: 21589024, 21601384, 21633713, 32001256, 32768062, ... 7 in total.
|  |
15669572
#16
| eMolecules: 16114563
Molport: MolPort-007-696-924
AKOS: AKOS001528294
Mcule: MCULE-2132908557
PKChem: PKC_01585...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.88,7.07,-12.01,1,5,0, 327.409, 5
Similar to: 21586938, 41425251, 7752357,
|  |
20894272
#17
| eMolecules: 16114579
Molport: MolPort-007-696-939
AKOS: AKOS001528450
Mcule: MCULE-7233232830
PKChem: PKC_02361...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,6.95,-13.48,1,5,0, 327.409, 5
Similar to: 21586938, 21587658, 21589024, 26540323, ... 5 in total.
|  |
7752357
#18
| eMolecules: 15278846
Molport: MolPort-003-257-603
AKOS: AKOS001157232
Enamine: Z108613446
Mcule: MCULE-3546048060...12 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,-1.03,-11.91,1,5,0, 327.409, 5
Similar to: 15669572, 41425251,
|  |
7070295
#19
| eMolecules: 16114561
Molport: MolPort-007-696-923
AKOS: AKOS001528263
Mcule: MCULE-4300291405
PKChem: PKC_01584...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.91,-1.02,-11.89,1,5,0, 327.409, 5
Similar to: 7961450, 7962286, 21589171, 31969348, ... 4 in total.
|  |
36873682
#20
| Otava (Virtual): 1623978
PubChem: 18089293
ref: mol2,
SDF,
SMILES,
flexibase
3.17,8.16,-12.88,0,5,0, 339.42, 4
Similar to: 41578908, 21598245, 25406031, 26287843, 26287851, ... 5 in total.
|  |
12768808
#21
| eMolecules: 17166303
Molport: MolPort-005-676-998
Enamine: Z108758128
Mcule: MCULE-4291525587
Otava (Virtual): 1623977...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.65,7.6,-10.26,0,5,0, 325.393, 4
Similar to: 31673633,
|  |
41184203
#22
| Otava (Virtual): 1623976
PubChem: 18089304
ref: mol2,
SDF,
SMILES,
flexibase
2.66,7.18,-12.62,0,5,0, 313.382, 5
Similar to: 43061504, 21599131, 21601384, 21939529, 25757760, ... 9 in total.
|  |
7071427
#23
| eMolecules: 16114559
Molport: MolPort-007-696-922
AKOS: AKOS001528229
Mcule: MCULE-9374417699
PKChem: PKC_01560...12 total
ref: mol2,
SDF,
SMILES,
flexibase
3.53,-1.56,-11.95,1,5,0, 313.382, 5
Similar to: 7945458, 7948014, 7961450, 21007158, 21589024, ... 10 in total.
|  |
7756249
#24
| eMolecules: 11906318
Molport: MolPort-003-257-612
AKOS: AKOS001156098
Mcule: MCULE-6138223528
PKChem: PKC_01557...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.51,-1.58,-11.93,1,5,0, 313.382, 5
Similar to: 20894272, 21586938, 21587658, 21589024, ... 4 in total.
|  |
4969568
#25
| eMolecules: 15996321
Molport: MolPort-007-621-155
AKOS: AKOS001787255
ChemDiv: C329-0230
Mcule: MCULE-9315833837...9 total
ref: mol2,
SDF,
SMILES,
flexibase
3.48,-1.35,-11.85,1,5,0, 313.382, 5
Similar to: 7962286, 21589171, 55691084,
|  |
14129179
#26
| eMolecules: 3694173
Molport: MolPort-003-336-522
AKOS: AKOS001261517
Enamine: Z108630556
Mcule: MCULE-1820198248...13 total
ref: mol2,
SDF,
SMILES,
flexibase
3.08,5.66,-11.92,1,5,0, 299.355, 5
Similar to: 21007158, 21601384, 25757760, 25884444, 27977848, ... 12 in total.
|  |
7850456
#27
| eMolecules: 17441184
Molport: MolPort-007-696-942
AKOS: AKOS001897752
Mcule: MCULE-9214130148
PKChem: PKC_01663...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.28,-3.4,-12.89,0,7,0, 398.488, 6
Similar to: 7962220, 7962452, 23538980, 42818904, ... 4 in total.
|  |
41184201
#28
| Otava (Virtual): 1623970
ref: mol2,
SDF,
SMILES,
flexibase
3.04,6.69,-10.51,0,5,0, 305.403, 4
|  |
21636398
#29
| Otava (Virtual): 1623969
PubChem: 18114712
ref: mol2,
SDF,
SMILES,
flexibase
3.84,6.86,-13.51,1,5,0, 361.854, 7
Similar to: 27648231, 41421485, 45178911, 45466346, 46205430, ... 11 in total.
|  |
41184199
#30
| Otava (Virtual): 1623968
PubChem: 18105333
ref: mol2,
SDF,
SMILES,
flexibase
2.78,6.31,-10.75,0,5,0, 305.403, 4
Similar to: 41471329, 41471332, 42918973, 46878895, 46878898, ... 10 in total.
|  |
41184197
#31
| Otava (Virtual): 1623968
PubChem: 18105333
ref: mol2,
SDF,
SMILES,
flexibase
2.78,6.31,-10.78,0,5,0, 305.403, 4
Similar to: 41184199, 41471329, 41471332, 42918973, 46878895, ... 10 in total.
|  |
58246670
#32
| Otava (Virtual): 1623967
PubChem: 51238441
ref: mol2,
SDF,
SMILES,
flexibase
4.21,9.92,-12.04,0,5,0, 381.501, 6
Similar to: 25058739, 25055802, 25518552,
|  |
41184195
#33
| Otava (Virtual): 1623966
ref: mol2,
SDF,
SMILES,
flexibase
3.07,6.23,-11.2,0,5,0, 293.392, 7
Similar to: 42926202, 46894923, 52538752, 52539265, 63602195, ... 8 in total.
|  |
41184193
#34
| Otava (Virtual): 1623965
PubChem: 18108289
ref: mol2,
SDF,
SMILES,
flexibase
3.33,4.88,-11.07,1,5,0, 293.392, 8
Similar to: 44705911,
|  |
41184191
#35
| Otava (Virtual): 1623964
PubChem: 18092947
ref: mol2,
SDF,
SMILES,
flexibase
3.04,4.61,-11.05,1,5,0, 293.392, 7
Similar to: 42926202, 36709869,
|  |
7955081
#36
| Otava (Virtual): 1623963
PubChem: 9082173
ref: mol2,
SDF,
SMILES,
flexibase
3.80,-2.93,-10.32,1,5,0, 319.43, 5
Similar to: 43506853, 43506854,
|  |
21523969
#37
| eMolecules: 17441170
Molport: MolPort-007-696-927
AKOS: AKOS001897158
Mcule: MCULE-8705863978
Otava (Virtual): 1623962...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.57,4.02,-11.18,1,5,0, 279.365, 5
Similar to: 41184134, 41184136,
|  |
12768776
#38
| eMolecules: 18832369
Molport: MolPort-008-904-784
Enamine: Z116887006
Mcule: MCULE-2533666564
Otava (Virtual): 1623961...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.65,7.25,-15.3,0,7,0, 399.472, 6
Similar to: 31693739, 31693743,
|  |
41184189
#39
| Otava (Virtual): 1623960
PubChem: 18119250
ref: mol2,
SDF,
SMILES,
flexibase
3.12,4.47,-14.02,1,7,0, 373.434, 9
Similar to: 23562901, 23642600, 27715410,
|  |
28645326
#40
| Otava (Virtual): 1623959
ref: mol2,
SDF,
SMILES,
flexibase
3.71,7.13,-12.26,1,5,0, 341.436, 8
|  |
41184187
#41
| Otava (Virtual): 1623958
ref: mol2,
SDF,
SMILES,
flexibase
2.38,5.6,-10.8,0,5,0, 279.365, 6
Similar to: 41184195, 42918973, 42926202, 46894923, ... 5 in total.
|  |
12020402
#42
| Innovapharm Make-on-Demand: VT-00507254
Otava (Virtual): 7020552382
PubChem: 21006819
AKOS (make-on-demand): AKOS002366843
ref: mol2,
SDF,
SMILES,
flexibase
0.32,-5.42,-21.61,1,7,0, 326.374, 6
|  |
12020397
#43
| Innovapharm Make-on-Demand: VT-00507253
Otava (Virtual): 7020552381
PubChem: 21006818
AKOS (make-on-demand): AKOS002366811
ref: mol2,
SDF,
SMILES,
flexibase
0.05,-5.48,-21.6,1,7,0, 312.347, 5
|  |
7955717
#44
| eMolecules: 13568672
Molport: MolPort-005-609-137
Enamine: Z108851904
Mcule: MCULE-9110568510
Otava (Virtual): 1623957...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.93,-4.27,-14.75,0,8,0, 370.438, 5
Similar to: 31676041,
|  |
27156716
#45
| Otava (Virtual): 1623955
ref: mol2,
SDF,
SMILES,
flexibase
1.81,5.9,-15.93,0,8,0, 386.433, 5
Similar to: 26150304, 7959956,
|  |
21523981
#46
| eMolecules: 17441182
Molport: MolPort-007-696-941
AKOS: AKOS001897751
Mcule: MCULE-1848954449
PKChem: PKC_01682...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.34,7.24,-12.28,0,6,0, 386.452, 5
Similar to: 25861938, 34858346, 42795387,
|  |
12020394
#47
| Innovapharm Make-on-Demand: VT-00507252
Otava (Virtual): 7020552380
PubChem: 21006817, 42355701
AKOS (make-on-demand): AKOS002366810
ref: mol2,
SDF,
SMILES,
flexibase
1.27,-4.14,-21.12,1,6,0, 310.375, 4
Similar to: 12020390,
|  |
12020386
#48
| Innovapharm Make-on-Demand: VT-00507251
Otava (Virtual): 7020552379
PubChem: 21006816
AKOS (make-on-demand): AKOS002366809
ref: mol2,
SDF,
SMILES,
flexibase
1.50,-4.62,-20.92,1,6,0, 310.375, 5
Similar to: 12020489,
|  |
7849539
#49
| Otava (Virtual): 1623953
PubChem: 8968506
ref: mol2,
SDF,
SMILES,
flexibase
4.02,-2.05,-11.07,0,6,0, 396.516, 5
|  |
7752094
#50
| eMolecules: 16114583
Molport: MolPort-007-696-943
AKOS: AKOS001897868
Mcule: MCULE-2586514122
Otava (Virtual): 1623952...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.23,-3.11,-12.45,0,7,0, 398.488, 6
Similar to: 7962220,
|  |
41184182
#51
| Otava (Virtual): 1623951
PubChem: 18120445
ref: mol2,
SDF,
SMILES,
flexibase
3.64,8.45,-12.4,0,6,0, 382.489, 5
Similar to: 25861938, 7962333,
|  |
32780777
#52
| AKOS: AKOS008061020
Mcule: MCULE-6450382232
UORSY: PB116525692
Otava (Virtual): 1623950
PubChem: 18107430...6 total
ref: mol2,
SDF,
SMILES,
flexibase
1.97,5.6,-15.19,0,8,0, 364.427, 6
|  |
41184180
#53
| Otava (Virtual): 1623949
PubChem: 18120693
ref: mol2,
SDF,
SMILES,
flexibase
2.26,4.85,-15.91,1,8,0, 378.454, 7
Similar to: 8013740,
|  |
24996781
#54
| AKOS: AKOS008111391
Mcule: MCULE-8081739335
UORSY: PB333462146
Otava (Virtual): 1623948
Collaborative Drug Discovery: 1298210...7 total
ref: mol2,
SDF,
SMILES,
flexibase
1.91,4.8,-11.85,0,7,0, 349.412, 4
|  |
7955498
#55
| Otava (Virtual): 1623947
PubChem: 9082583
ref: mol2,
SDF,
SMILES,
flexibase
2.43,-2.35,-14.4,1,7,0, 373.434, 8
Similar to: 7957900, 7965150, 7965151, 41426191, 43482123, ... 7 in total.
|  |
7954803
#56
| Otava (Virtual): 1623946
PubChem: 9081907
ref: mol2,
SDF,
SMILES,
flexibase
3.87,6.87,-13.59,1,5,0, 361.854, 7
Similar to: 7955841,
|  |
7956247
#57
| Otava (Virtual): 1623945
PubChem: 9083325
ref: mol2,
SDF,
SMILES,
flexibase
2.84,-2.21,-16.94,1,7,0, 387.461, 9
Similar to: 25888639, 31496442,
|  |
58093887
#58
| Otava (Virtual): 1623944
PubChem: 18107800
ref: mol2,
SDF,
SMILES,
flexibase
3.34,6.4,-15.85,2,6,0, 366.446, 7
Similar to: 25908594, 23573468, 23573470, 24207737, 27712074, ... 11 in total.
|  |
12020390
#59
| Innovapharm Make-on-Demand: VT-00507252
Otava (Virtual): 7020552380
PubChem: 42355700, 21006817
AKOS (make-on-demand): AKOS002366810
ref: mol2,
SDF,
SMILES,
flexibase
1.27,-3.94,-21.1,1,6,0, 310.375, 4
Similar to: 12020394,
|  |
7848189
#60
| Otava (Virtual): 1623943
PubChem: 8967237
ref: mol2,
SDF,
SMILES,
flexibase
3.38,-2.67,-12.5,0,6,0, 386.452, 5
Similar to: 7962333, 21599131, 25861938, 42792409, 42792414, ... 5 in total.
|  |
7069375
#61
| eMolecules: 17441186
Molport: MolPort-007-696-944
AKOS: AKOS001897869
Mcule: MCULE-5895297269
PKChem: PKC_01685...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.22,-3.39,-11.57,0,6,0, 368.462, 5
Similar to: 7961329, 7962220, 7962333, 21939529, 25861938, ... 8 in total.
|  |
38374929
#62
| Otava (Virtual): 1623941
PubChem: 9071360, 9071361
ref: mol2,
SDF,
SMILES,
flexibase
2.92,6.92,-11.95,0,6,0, 382.489, 6
Similar to: 42655412, 44702657, 55626247,
|  |
41184178
#63
| Otava (Virtual): 1623940
ref: mol2,
SDF,
SMILES,
flexibase
1.15,2.41,-20.19,0,7,0, 355.441, 5
Similar to: 43058750, 43058751, 31692675, 41184175, ... 4 in total.
|  |
41184175
#64
| Otava (Virtual): 1623940
ref: mol2,
SDF,
SMILES,
flexibase
1.15,2.41,-21.27,0,7,0, 355.441, 5
Similar to: 41184178, 43058750, 43058751,
|  |
32784486
#65
| eMolecules: 24966961
Molport: MolPort-008-904-769
Enamine: Z118692512
Mcule: MCULE-2876930093
Otava (Virtual): 1623939...9 total
ref: mol2,
SDF,
SMILES,
flexibase
0.91,0.83,-21.91,1,7,0, 341.414, 5
Similar to: 43058750, 43058751,
|  |
32784484
#66
| eMolecules: 24966961
Molport: MolPort-008-904-769
Enamine: Z118692512
Mcule: MCULE-2876930093
Otava (Virtual): 1623939...9 total
ref: mol2,
SDF,
SMILES,
flexibase
0.91,0.83,-21.98,1,7,0, 341.414, 5
Similar to: 43058750, 43058751,
|  |
41184173
#67
| Otava (Virtual): 1623938
ref: mol2,
SDF,
SMILES,
flexibase
2.15,6.7,-14.17,0,6,0, 342.424, 7
lo: mol2,
SDF,
SMILES,
flexibase
2.15,7.16,-41.91,1,6,1, 343.432, 7
Similar to: 21774883,
|  |
41184171
#68
| Otava (Virtual): 1623937
PubChem: 18089444
ref: mol2,
SDF,
SMILES,
flexibase
3.25,5.64,-14.69,1,6,0, 357.435, 8
Similar to: 53150503, 21635697, 21635704, 25888639, ... 4 in total.
|  |
41184169
#69
| Otava (Virtual): 1623936
ref: mol2,
SDF,
SMILES,
flexibase
3.22,5.64,-14.61,1,6,0, 357.435, 8
Similar to: 21640061, 36684800, 36684801, 25888639, ... 4 in total.
|  |
23444158
#70
| Otava (Virtual): 1623935
PubChem: 31115471
ref: mol2,
SDF,
SMILES,
flexibase
3.20,5.89,-14.81,1,6,0, 357.435, 8
Similar to: 31335012, 31335015, 41450628, 55666391, 55666392, ... 5 in total.
|  |
41184167
#71
| Otava (Virtual): 1623934
PubChem: 18089489
ref: mol2,
SDF,
SMILES,
flexibase
3.35,6.41,-14.32,1,5,0, 345.399, 7
Similar to: 41421485, 31320753, 31320756, 7955841, ... 4 in total.
|  |
41184165
#72
| Otava (Virtual): 1623933
PubChem: 18114995
ref: mol2,
SDF,
SMILES,
flexibase
3.31,6.39,-14,1,5,0, 345.399, 7
|  |
41184162
#73
| Otava (Virtual): 1623932
PubChem: 18108231
ref: mol2,
SDF,
SMILES,
flexibase
3.02,7.86,-11.71,0,5,0, 339.42, 4
Similar to: 21587792, 25463044, 25408693,
|  |
20894256
#74
| eMolecules: 16114569
Molport: MolPort-007-696-932
AKOS: AKOS001897394
Mcule: MCULE-1827470448
Otava (Virtual): 1623931...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.19,6.51,-13.87,1,5,0, 327.409, 7
Similar to: 21636398, 21774883, 25078468, 25518552, 41421485, ... 10 in total.
|  |
41184160
#75
| Otava (Virtual): 1623930
PubChem: 18107673
ref: mol2,
SDF,
SMILES,
flexibase
1.50,3.81,-12.92,1,6,0, 314.37, 6
lo: mol2,
SDF,
SMILES,
flexibase
1.50,4.26,-45.22,2,6,1, 315.378, 6
Similar to: 42655068,
|  |
29631309
#76
| Otava (Virtual): 1623929
PubChem: 36840375
ref: mol2,
SDF,
SMILES,
flexibase
1.55,3.95,-13.3,1,6,0, 314.37, 6
lo: mol2,
SDF,
SMILES,
flexibase
1.55,4.39,-47.05,2,6,1, 315.378, 6
|  |
20894275
#77
| eMolecules: 16114585
Molport: MolPort-007-696-945
AKOS: AKOS001897988
Enamine: Z116400820
Mcule: MCULE-3122342714...9 total
ref: mol2,
SDF,
SMILES,
flexibase
1.61,3.89,-13.39,1,6,0, 314.37, 6
lo: mol2,
SDF,
SMILES,
flexibase
1.61,4.27,-44.23,2,6,1, 315.378, 6
Similar to: 23575903, 26287909, 37117656, 37117657, 42800965, ... 6 in total.
|  |
7753762
#78
| eMolecules: 3703590
Molport: MolPort-004-214-595
Enamine: Z108620868
Mcule: MCULE-9266546429
Otava (Virtual): 1623927...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.67,-3.53,-13.7,1,7,0, 357.391, 6
|  |
14241533
#79
| eMolecules: 13561540
Molport: MolPort-005-607-201
Enamine: Z108860222
Mcule: MCULE-3847814804
Otava (Virtual): 1623925...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.79,5.11,-11.85,1,6,0, 343.408, 7
Similar to: 21598486, 21598488, 25555481, 25807649, 30716549, ... 9 in total.
|  |
7068487
#80
| eMolecules: 11964014
Molport: MolPort-005-544-941
Enamine: Z108606144
Mcule: MCULE-9268553468
Otava (Virtual): 1623924...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.46,-2.84,-10.97,1,5,0, 347.827, 6
Similar to: 7955232, 21598673, 26411653,
|  |
7952142
#81
| Otava (Virtual): 1623923
PubChem: 9079290
ref: mol2,
SDF,
SMILES,
flexibase
3.42,-2.87,-11,1,5,0, 347.827, 6
Similar to: 7955232, 21598581, 41397245,
|  |
9550083
#82
| eMolecules: 3690473
Molport: MolPort-003-335-412
Enamine: Z108861942
Mcule: MCULE-5960569275
Otava (Virtual): 1623922...9 total
ref: mol2,
SDF,
SMILES,
flexibase
2.95,-1.95,-11.53,1,5,0, 331.372, 6
Similar to: 21599197, 26080899, 28031809, 42655412, 55626247, ... 5 in total.
|  |
24831265
#83
| eMolecules: 18862138
Molport: MolPort-008-904-758
Enamine: Z109107560
Mcule: MCULE-7682240507
Otava (Virtual): 1623921...8 total
ref: mol2,
SDF,
SMILES,
flexibase
2.90,5.77,-12.55,1,5,0, 331.372, 6
Similar to: 26080899, 28031809, 21598811, 21598813, ... 4 in total.
|  |
21523978
#84
| eMolecules: 17441178
Molport: MolPort-007-696-933
AKOS: AKOS001897513
Mcule: MCULE-3450113550
PKChem: PKC_01662...11 total
ref: mol2,
SDF,
SMILES,
flexibase
3.03,7.92,-11.66,0,5,0, 327.409, 6
Similar to: 21587792, 21636110, 23572852, 23598035, 25760681, ... 11 in total.
|  |
7751014
#85
| Otava (Virtual): 1623919
PubChem: 18089282, 8866138
ref: mol2,
SDF,
SMILES,
flexibase
3.34,-1.94,-10.96,1,5,0, 327.409, 6
Similar to: 21598170, 21598323, 21598673, 21598963, 21598965, ... 15 in total.
|  |
7751008
#86
| Otava (Virtual): 1623919
PubChem: 18089282, 8866131
ref: mol2,
SDF,
SMILES,
flexibase
3.34,-1.94,-10.9,1,5,0, 327.409, 6
Similar to: 7751014, 21598170, 21598323, 21598673, 21598963, ... 16 in total.
|  |
4969561
#87
| eMolecules: 11330963
Molport: MolPort-004-627-109
AKOS: AKOS001426649
ChemDiv: C329-0208
Mcule: MCULE-6663726715...17 total
ref: mol2,
SDF,
SMILES,
flexibase
3.23,6.25,-11.1,1,5,0, 327.409, 6
Similar to: 7070862, 7964703, 23572852, 25760681, 31107805, ... 8 in total.
|  |
31107805
#88
| Otava (Virtual): 1623917
ref: mol2,
SDF,
SMILES,
flexibase
3.21,6.38,-11.5,1,5,0, 327.409, 6
Similar to: 43071960, 4969561, 25760681, 7070862, 7964703, ... 5 in total.
|  |
7965944
#89
| eMolecules: 18863923
Molport: MolPort-008-904-755
Enamine: Z109404164
Mcule: MCULE-9073222748
Otava (Virtual): 1623916...8 total
ref: mol2,
SDF,
SMILES,
flexibase
3.19,-2.17,-10.55,1,5,0, 327.409, 6
Similar to: 25760681, 26404771, 31078540, 45203915, ... 4 in total.
|  |
7070862
#90
| eMolecules: 16114567
Molport: MolPort-007-696-931
AKOS: AKOS001897393
Mcule: MCULE-6638782607
PKChem: PKC_01681...10 total
ref: mol2,
SDF,
SMILES,
flexibase
2.79,-2.69,-10.65,1,5,0, 313.382, 6
Similar to: 7964703, 23572852, 25760681, 31107805, 43071960, ... 8 in total.
|  |
9454495
#91
| eMolecules: 11919456
Molport: MolPort-002-991-410
AKOS: AKOS001897039
Enamine: Z108614098
Mcule: MCULE-9276337407...15 total
ref: mol2,
SDF,
SMILES,
flexibase
2.04,-2.18,-11.52,1,6,0, 303.343, 6
Similar to: 23306404, 23306408, 41382907,
|  |
41184158
#92
| Otava (Virtual): 1623913
PubChem: 51265133
ref: mol2,
SDF,
SMILES,
flexibase
0.88,4.55,-16.14,0,7,0, 334.401, 4
Similar to: 41361598, 42591029, 42594505, 42854710, 42854712, ... 13 in total.
|  |
41184156
#93
| Otava (Virtual): 1623912
ref: mol2,
SDF,
SMILES,
flexibase
0.91,3.99,-18.38,0,7,0, 320.374, 4
Similar to: 41184158, 41361598, 41579608, 42591029, 42594505, ... 12 in total.
|  |
41184154
#94
| Otava (Virtual): 1623911
ref: mol2,
SDF,
SMILES,
flexibase
1.90,4.01,-10.8,0,6,0, 320.418, 5
mid: mol2,
SDF,
SMILES,
flexibase
1.90,6.22,-46.64,1,6,1, 321.426, 5
Similar to: 41184156, 41184158, 41361598, 41579608, 42591029, ... 12 in total.
|  |
41184152
#95
| Otava (Virtual): 1623910
PubChem: 51238217
ref: mol2,
SDF,
SMILES,
flexibase
1.52,3.21,-10.96,0,6,0, 306.391, 4
mid: mol2,
SDF,
SMILES,
flexibase
1.52,5.56,-47.76,1,6,1, 307.399, 4
Similar to: 41184154, 41184156, 41184158, 41361598, 41579608, ... 14 in total.
|  |
36686279
#96
| Otava (Virtual): 1623908
PubChem: 43045209
ref: mol2,
SDF,
SMILES,
flexibase
1.26,1.04,-12.98,1,7,0, 336.417, 7
mid: mol2,
SDF,
SMILES,
flexibase
1.26,3.31,-48.6,2,7,1, 337.425, 7
Similar to: 46888106, 46888108,
|  |
21785753
#97
| eMolecules: 25639091
Molport: MolPort-008-904-747
Enamine: Z111584664
Mcule: MCULE-7448730808
Otava (Virtual): 1623906...11 total
ref: mol2,
SDF,
SMILES,
flexibase
1.76,3.04,-12.03,1,6,0, 307.375, 6
Similar to: 21785749,
|  |
21785749
#98
| eMolecules: 25639091
Molport: MolPort-008-904-747
Enamine: Z111584664
Mcule: MCULE-7448730808
Otava (Virtual): 1623906...11 total
ref: mol2,
SDF,
SMILES,
flexibase
1.76,2.95,-12.19,1,6,0, 307.375, 6
Similar to: 21785753,
|  |
41184146
#99
| Otava (Virtual): 1623904
PubChem: 51229280
ref: mol2,
SDF,
SMILES,
flexibase
1.64,2.39,-12.03,1,6,0, 295.364, 8
Similar to: 41685507,
|  |
41184144
#100
| Otava (Virtual): 1623903
PubChem: 51229075
ref: mol2,
SDF,
SMILES,
flexibase
1.37,1.64,-11.7,1,6,0, 281.337, 7
Similar to: 42779334,
|  |
Old detail retrieval took 3 seconds.
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 = 30 ) limit 0,100
