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Records 4161 to 4180 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50431519 BDB-kin50433047.mol2, BDB-kin50433047.pdbqt 288,15 100,47 -3,413 383,45 0,6965 8 2 0 -0,67603 0,547552067218904
50431520 BDB-kin50433048.mol2, BDB-kin50433048.pdbqt 274,39 100,47 -4,107 369,424 1,2762 8 2 0 -1,1219 0,480674861025709
50431521 BDB-kin50433049.mol2, BDB-kin50433049.pdbqt 308,72 108,92 -5,18 405,461 1,2348 9 2 0 1,5233 0,575266660810485
50431522 BDB-kin50433050.mol2, BDB-kin50433050.pdbqt 294,96 108,92 -5,874 391,434 1,8145 9 2 0 1,2692 0,504427320152616
50433029 BDB-kin50433051.mol2, BDB-kin50433051.pdbqt 275,56 130,25 -3,779 370,412 -0,037 9 3 0 4,3927 0,641068165377488
50433030 BDB-kin50433052.mol2, BDB-kin50433052.pdbqt 307,01 136,58 -4,491 412,449 0,8057 10 2 0 2,3567 0,537147091054157
50433032 BDB-kin50433536.mol2, BDB-kin50433536.pdbqt 326 140,76 -4,407 439,471 0,9809 10 2 0 2,6086 0,658578059128113
50433033 BDB-kin50434806.mol2, BDB-kin50434806.pdbqt 308,25 123,69 -4,954 411,461 1,3499 9 2 0 2,3567 0,497771890393607
50433034 BDB-kin50436459.mol2, BDB-kin50436459.pdbqt 340,51 137,32 -5,441 458,52 1,6186 9 2 0 2,7338 0,538026136498498
50433037 BDB-kin50439511.mol2, BDB-kin50439511.pdbqt 326,93 159,44 -4,02 439,475 0,0389 11 2 1 2,8169 0,699959417010454
50433038 BDB-kin50439512.mol2, BDB-kin50439512.pdbqt 334,52 146,55 -4,797 456,476 0,6839 10 2 0 1,4769 0,568544528261153
50433039 BDB-kin50439513.mol2, BDB-kin50439513.pdbqt 328,17 146,55 -4,483 438,486 0,5831 10 2 0 2,8169 0,658541277948399
50433040 BDB-kin50439514.mol2, BDB-kin50439514.pdbqt 340,51 137,32 -5,441 458,52 1,6186 9 2 0 2,7338 0,538026136498498
50433041 BDB-kin50439515.mol2, BDB-kin50439515.pdbqt 307,37 142,25 -3,502 411,465 -0,6351 10 2 0 5,5239 0,7889677237454
50433042 BDB-kin50439516.mol2, BDB-kin50439516.pdbqt 295,48 153,11 -3,308 397,438 -0,8038 10 3 0 4,7612 0,813312229604588
50433043 BDB-kin50439517.mol2, BDB-kin50439517.pdbqt 326,93 159,44 -4,02 439,475 0,0389 11 2 1 2,8169 0,699959417010454
50433044 BDB-kin50439518.mol2, BDB-kin50439518.pdbqt 334,52 146,55 -4,797 456,476 0,6839 10 2 0 1,4769 0,568544528261153
50433045 BDB-kin50439519.mol2, BDB-kin50439519.pdbqt 328,17 146,55 -4,483 438,486 0,5831 10 2 0 2,8169 0,658541277948399
50433046 BDB-kin50439520.mol2, BDB-kin50439520.pdbqt 320,59 114,46 -5,912 431,495 2,3854 8 2 0 2,2794 0,401646413606199
50433047 BDB-kin50439521.mol2, BDB-kin50439521.pdbqt 287,45 119,39 -3,973 384,439 0,1317 9 2 0 5,179 0,620976158776558
These data are only available for scientific research purposes.