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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127437 BDB-kin136443.mol2, BDB-kin136443.pdbqt 306,84 113,48 -2,899 420,476 -0,2487 10 1 0 8,818 0,811877020876088
127438 BDB-kin136444.mol2, BDB-kin136444.pdbqt 335,34 87,46 -3,7 447,541 1,4995 9 0 0 6,4546 0,726340818854261
127439 BDB-kin136445.mol2, BDB-kin136445.pdbqt 296,82 87,46 -3,33 405,461 1,0758 9 0 0 6,5684 0,800360449774962
127440 BDB-kin136446.mol2, BDB-kin136446.pdbqt 349,03 106 -4,2 475,551 1,693 10 1 0 3,8775 0,646149616800877
127441 BDB-kin136447.mol2, BDB-kin136447.pdbqt 325,84 107,69 -3,31 449,513 0,889 10 1 0 5,6548 0,751918807269656
127442 BDB-kin136448.mol2, BDB-kin136448.pdbqt 338,03 106 -3,822 461,524 1,3337 10 1 0 4,8903 0,700259468742492
127443 BDB-kin136449.mol2, BDB-kin136449.pdbqt 308,28 99,49 -3,509 420,476 0,8048 10 1 0 6,7619 0,775624142783704
127445 BDB-kin136450.mol2, BDB-kin136450.pdbqt 308,92 100,91 -4,32 421,456 1,6075 9 1 0 -0,34035 0,498060156010581
127446 BDB-kin136451.mol2, BDB-kin136451.pdbqt 288,12 96,61 -3,339 394,434 0,3893 9 1 0 2,4801 0,783535528737609
127447 BDB-kin136452.mol2, BDB-kin136452.pdbqt 276,23 107,47 -3,145 380,407 0,2206 9 2 0 1,677 0,773114800786412
127448 BDB-kin136453.mol2, BDB-kin136453.pdbqt 321,48 94,92 -4,338 434,498 1,5739 9 1 0 0,39588 0,550368413994661
127449 BDB-kin136454.mol2, BDB-kin136454.pdbqt 309,73 116,84 -2,837 424,46 -0,2814 10 2 0 2,0728 0,764678700146816
127450 BDB-kin136455.mol2, BDB-kin136455.pdbqt 307,68 113,8 -3,857 422,444 1,0633 10 1 0 -0,34035 0,529190747098884
127451 BDB-kin136456.mol2, BDB-kin136456.pdbqt 276,23 107,47 -2,837 380,407 0,3116 9 2 0 0,8784 0,728105758602471
127452 BDB-kin136457.mol2, BDB-kin136457.pdbqt 289,58 99,41 -2,908 393,45 0,0955 9 2 0 4,3182 0,833535029858212
127453 BDB-kin136458.mol2, BDB-kin136458.pdbqt 273,79 113,16 -3,986 376,423 0,8329 9 2 0 1,4881 0,708809140997933
127455 BDB-kin136459.mol2, BDB-kin136459.pdbqt 281,18 121,36 -4,612 391,434 1,2883 9 2 0 0,60247 0,347754659387963
127457 BDB-kin136460.mol2, BDB-kin136460.pdbqt 258,14 82,45 -3,838 349,393 1,6916 7 1 0 -0,11815 0,591373654105489
127458 BDB-kin136461.mol2, BDB-kin136461.pdbqt 247,34 87,38 -3,032 338,37 0,3569 8 1 0 2,5758 0,844553684439728
127459 BDB-kin136462.mol2, BDB-kin136462.pdbqt 268,14 91,68 -4,013 365,392 1,5751 8 1 0 -0,071414 0,578102524113154
These data are only available for scientific research purposes.