• UNII FDA
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Records 47801 to 47820 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
57989740 2N549WYF8O mol2, pdbqt 367,41 0,33118 167,71 -6,494 535,57 3,6149 8 3 1 -5,4375 0,186476307404253
57989831 K8LO461TMR mol2, pdbqt 371,4 0,36274 184,78 -6,476 549,553 3,2653 9 3 1 -1,1345 0,231132375102027
57990869 4L1AM42NVA mol2, pdbqt 344,55 0,24063 91,41 -4,933 444,537 2,8692 8 3 0 1,1891 0,189590663645842
58004815 4G2NYA84QJ mol2, pdbqt 183,79 0,1333 29,1 -3,291 223,359 2,7397 2 1 0 -6,7052 0,4327230165038
58029842 9628AJ27JA mol2, pdbqt 376,96 0,27945 134,31 -6,246 532,067 1,5619 10 2 1 6,4383 0,422682178122187
58031952 2WU922TK3L mol2, pdbqt 802,45 0,22332 199,58 -8,735 1113,2 7,3934 18 4 3 -5,7058 6,95831430608349E-02
58048841 H9JZ181R5E mol2, pdbqt 563,26 0,086994 58,2 -8,93 591,018 13,433 4 2 2 -22,67 0,079723955582874
58059361 8B5ED610XJ mol2, pdbqt 273,56 0,12231 34,47 -3,091 346,444 3,4385 4 0 0 1,8895 0,594938178598786
58059494 WD5DUG7X38 mol2, pdbqt 470,24 0,37509 219,43 -5,351 644,62 0,5379 15 3 2 -19,571 7,27061550864317E-02
58063720 7N7MB1SWWJ mol2, pdbqt 207,95 0,034143 6,48 -1,826 233,378 1,5168 2 0 0 7,5247 0,567693213715462
58079280 6AS41WUE4L mol2, pdbqt 262,69 0,16118 46,92 -4,882 359,419 4,4427 4 1 0 0,592 0,473949906965637
58079394 5R8J43K25L mol2, pdbqt 269,51 0,12282 38,69 -3,397 288,47 4,7688 3 1 0 -36,085 0,206221783801976
58096483 W9C3Q6D4HE mol2, pdbqt 353,22 0,13247 56,25 -5,442 478,418 4,2924 6 1 0 3,8526 7,76879571380275E-02
58100386 0H0755Q5F8 mol2, pdbqt 439,6 0,09015 46,61 -11,152 561,763 10,728 4 0 2 -3,014 4,17628410110924E-02
58111426 2K59L7G59M mol2, pdbqt 297,44 0,34948 124,46 -5,781 421,459 2,2507 8 2 0 3,7612 9,36099025446798E-02
58124325 I7PZF0KTFK mol2, pdbqt 280,69 0,2517 90,01 -3,676 368,411 1,7541 6 2 0 5,6196 0,480992152011167
58153637 E77W873JI7 mol2, pdbqt 287,22 0,26889 95,94 -2,776 368,472 -0,0272 7 2 0 -7,7925 0,433687378704717
58153686 69DSS084J7 mol2, pdbqt 271,31 0,29608 106,94 -2,618 354,445 -0,407 7 3 0 -7,2244 0,442645415211522
58153707 9947X9J31M mol2, pdbqt 320,96 0,24062 95,94 -3,371 416,516 0,6183 7 2 0 -3,8863 0,40285397802433
58153851 4GS9P3LL2L mol2, pdbqt 333,84 0,26848 112,07 -5,903 421,499 3,3356 8 2 0 -4,0263 0,259361393351296
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 of 2794
Records 47801 to 47820 of 55865
These data are only available for scientific research purposes.