ZINC ID
| Supplier information; Representations Properties:xLogP, ap & p desolvation, HBD,HBA,Charge,Mwt,NRB Annotations; Similarity | Structure
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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: 21006817, 42355700 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: 9071361, 9071360 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: 8866138, 18089282 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: 8866131, 18089282 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 1 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