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Records 201 to 220 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115633 BDB-kin115814.mol2, BDB-kin115814.pdbqt 351,9 88,24 -3,285 444,513 3,4018 7 1 0 3,0471 0,686529286479573
115634 BDB-kin115815.mol2, BDB-kin115815.pdbqt 376,16 88,24 -3,409 460,555 3,4776 7 1 0 1,3365 0,603392608796254
115635 BDB-kin115816.mol2, BDB-kin115816.pdbqt 355,36 85 -5,04 443,524 4,8543 6 1 0 -3,7222 0,243582487964442
115636 BDB-kin115817.mol2, BDB-kin115817.pdbqt 352,17 85 -5,094 445,953 4,9616 6 1 0 -2,3491 0,250902471328015
115637 BDB-kin115818.mol2, BDB-kin115818.pdbqt 390,86 88,24 -4,424 508,546 3,9738 7 1 1 0,61071 0,432466115089461
115638 BDB-kin115819.mol2, BDB-kin115819.pdbqt 378,42 88,24 -4,417 484,577 4,3294 7 1 0 1,7374 0,487785395806443
115639 BDB-kin115820.mol2, BDB-kin115820.pdbqt 383,56 85 -5,94 511,522 5,6079 6 1 2 -7,1543 0,158805849311552
115640 BDB-kin115821.mol2, BDB-kin115821.pdbqt 415,94 97,47 -4,338 528,63 4,1914 8 1 1 -2,0887 0,275679667991866
115641 BDB-kin115822.mol2, BDB-kin115822.pdbqt 415,94 97,47 -4,338 528,63 4,0995 8 1 1 0,5143 0,408306001660929
115642 BDB-kin115823.mol2, BDB-kin115823.pdbqt 420,76 130,76 -4,197 562,668 3,1634 9 1 1 -2,9243 0,273098929614447
115643 BDB-kin115824.mol2, BDB-kin115824.pdbqt 392,18 88,24 -4,687 498,604 4,6714 7 1 0 -3,0702 0,244950383491972
115644 BDB-kin115825.mol2, BDB-kin115825.pdbqt 406,5 130,76 -4,587 536,63 3,9153 9 1 1 -0,44095 0,33881066326182
115645 BDB-kin115826.mol2, BDB-kin115826.pdbqt 351,6 94,23 -4,151 445,497 3,6903 7 1 0 -2,552 0,337702151775126
115646 BDB-kin115827.mol2, BDB-kin115827.pdbqt 364,16 88,24 -3,653 458,539 3,7997 7 1 0 3,0471 0,628533354617639
115647 BDB-kin115828.mol2, BDB-kin115828.pdbqt 433,46 88,24 -5,279 540,685 5,5501 7 1 2 -2,3374 0,183427281312232
115648 BDB-kin115829.mol2, BDB-kin115829.pdbqt 418,23 108,55 -3,058 529,618 3,1499 9 1 1 3,6452 0,608953708451219
115649 BDB-kin115830.mol2, BDB-kin115830.pdbqt 425,42 88,24 -4,976 534,637 5,2178 7 1 2 2,3107 0,363204593038747
115650 BDB-kin115831.mol2, BDB-kin115831.pdbqt 411,66 88,24 -5,498 520,61 5,2949 7 1 2 1,4254 0,319274231440123
115651 BDB-kin115832.mol2, BDB-kin115832.pdbqt 414,24 91,48 -3,076 515,635 3,4995 8 1 1 4,1607 0,613548165381145
115652 BDB-kin115833.mol2, BDB-kin115833.pdbqt 423,31 91,48 -3,498 532,09 4,0047 8 1 1 5,5015 0,551208298977225
These data are only available for scientific research purposes.