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Records 1841 to 1860 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
174575 BDB-kin174739.mol2, BDB-kin174739.pdbqt 360,91 96,81 -4,571 477,567 1,9122 10 0 0 3,5648 0,606782923808754
174577 BDB-kin174740.mol2, BDB-kin174740.pdbqt 351,95 72,84 -6,025 467,543 3,0852 8 0 0 -0,012957 0,353246131378319
174579 BDB-kin174741.mol2, BDB-kin174741.pdbqt 327,84 83,92 -4,027 436,514 0,9415 9 0 0 2,3348 0,687641492899813
174581 BDB-kin174742.mol2, BDB-kin174742.pdbqt 372,98 109,37 -6,896 512,633 2,1077 10 0 1 4,1638 0,399333181445447
174582 BDB-kin174743.mol2, BDB-kin174743.pdbqt 331,6 76,5 -5,521 434,542 2,944 8 0 0 2,5992 0,52713059404705
174583 BDB-kin174744.mol2, BDB-kin174744.pdbqt 320,6 76,5 -5,143 420,515 2,6193 8 0 0 1,4345 0,545589811902904
174584 BDB-kin174745.mol2, BDB-kin174745.pdbqt 308,34 76,5 -4,799 406,488 2,2754 8 0 0 1,4345 0,595552303664042
174585 BDB-kin174746.mol2, BDB-kin174746.pdbqt 263,18 64,03 -4,896 355,828 3,1042 6 0 0 1,4844 0,598552942967707
174587 BDB-kin174747.mol2, BDB-kin174747.pdbqt 330,6 85,73 -5,447 436,514 2,4343 9 0 0 1,4746 0,511099544712669
174588 BDB-kin174748.mol2, BDB-kin174748.pdbqt 380,68 88,97 -4,87 493,61 2,1341 10 0 0 4,9367 0,564317842492225
174589 BDB-kin174749.mol2, BDB-kin174749.pdbqt 316,74 92,71 -4,389 422,487 0,6886 9 1 0 1,3988 0,633254512137334
174590 BDB-kin174750.mol2, BDB-kin174750.pdbqt 330,05 100,29 -5,701 431,499 2,0425 9 0 0 -2,8455 0,290217300355702
174591 BDB-kin174751.mol2, BDB-kin174751.pdbqt 334,61 119,59 -5,017 449,513 1,2942 10 1 0 1,9315 0,569972115885785
174592 BDB-kin174752.mol2, BDB-kin174752.pdbqt 330,05 100,29 -5,701 431,499 2,0425 9 0 0 -2,8455 0,290217300355702
174593 BDB-kin174753.mol2, BDB-kin174753.pdbqt 332,06 88,53 -5,489 435,53 2,1513 9 1 0 1,8749 0,527651186249934
174595 BDB-kin174755.mol2, BDB-kin174755.pdbqt 355,94 110,14 -5,73 479,535 2,2281 10 1 0 1,4967 0,456055961970794
174602 BDB-kin174767.mol2, BDB-kin174767.pdbqt 383,49 138,39 -6,511 528,632 1,7728 11 2 2 -0,15119 0,239648227238206
174604 BDB-kin174768.mol2, BDB-kin174768.pdbqt 389,07 101,94 -6,426 518,616 2,751 10 1 1 2,0012 0,386040155510107
174606 BDB-kin178216.mol2, BDB-kin178216.pdbqt 349,81 105,6 -5,771 463,54 2,208 10 1 0 2,254 0,489346136406029
174607 BDB-kin178217.mol2, BDB-kin178217.pdbqt 330,58 72,84 -7,121 435,526 3,4753 8 0 0 2,5992 0,409811765595733
These data are only available for scientific research purposes.