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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442788 50442788.mol2, BDB-kin50442788.pdbqt 255,84 61,77 -6,391 391,735 3,6647 5 1 0 -3,0632 0,12024817053728
50442789 50442789.mol2, BDB-kin50442789.pdbqt 246,77 61,77 -5,969 375,28 3,1595 5 1 0 -3,1154 0,281235855712384
50442790 50442790.mol2, BDB-kin50442790.pdbqt 246,77 61,77 -5,969 375,28 3,1595 5 1 0 -3,1154 0,134993210741944
50442791 50442791.mol2, BDB-kin50442791.pdbqt 240,42 61,77 -5,655 357,29 3,0587 5 1 0 -3,1154 0,302722084092474
50442792 50442792.mol2, BDB-kin50442792.pdbqt 250,05 107,59 -6,073 368,735 1,8358 8 1 0 -0,915 0,36135722567176
50442793 50442793.mol2, BDB-kin50442793.pdbqt 250,05 107,59 -6,073 368,735 1,8358 8 1 0 -0,915 0,36135722567176
50442794 50442794.mol2, BDB-kin50442794.pdbqt 240,98 107,59 -5,651 352,28 1,3306 8 1 0 -2,3143 0,335101687675789
50442795 50442795.mol2, BDB-kin50442795.pdbqt 245,01 61,77 -6,447 402,634 3,5416 5 1 0 2,3368 0,454214000338946
50442796 50442796.mol2, BDB-kin50442796.pdbqt 229,59 61,77 -5,711 368,189 2,9356 5 1 0 2,2846 0,547264782141674
50442797 50442797.mol2, BDB-kin50442797.pdbqt 238,64 61,77 -5,957 337,765 3,1603 5 1 0 4,0908 0,553214837249082
50442798 50442798.mol2, BDB-kin50442798.pdbqt 232,73 61,77 -5,927 341,728 2,9172 5 1 0 2,7868 0,440247430489166
50442799 50442799.mol2, BDB-kin50442799.pdbqt 241,8 61,77 -6,349 358,183 3,4224 5 1 0 4,1268 0,403884292921459
50442800 50442800.mol2, BDB-kin50442800.pdbqt 241,8 61,77 -6,349 358,183 3,4224 5 1 0 4,1268 0,403884292921459
50442801 50442801.mol2, BDB-kin50442801.pdbqt 241,8 61,77 -6,349 358,183 3,4224 5 1 0 4,1268 0,403884292921459
50442802 50442802.mol2, BDB-kin50442802.pdbqt 232,73 61,77 -5,927 341,728 2,9172 5 1 0 2,7868 0,550309288111458
50442806 50442806.mol2, BDB-kin50442806.pdbqt 283,04 94,31 -4,52 361,4 2,3833 6 2 0 -1,744 0,413051047645983
50442807 50442807.mol2, BDB-kin50442807.pdbqt 351,67 103,54 -5,433 451,496 3,1572 7 2 0 -7,6826 0,159896626127356
50442808 50442808.mol2, BDB-kin50442808.pdbqt 320,56 103,54 -4,441 405,453 2,2908 7 2 0 -3,9675 0,212722469122947
50442809 50442809.mol2, BDB-kin50442809.pdbqt 334,32 103,54 -4,711 419,48 2,7452 7 2 0 0,42767 0,51804145795259
50442810 50442810.mol2, BDB-kin50442810.pdbqt 267,13 105,31 -4,392 347,373 0,2286 6 3 0 0,44941 0,614937366643369
These data are only available for scientific research purposes.