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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50442267 50442267.mol2, BDB-kin50442267.pdbqt 393,26 107,99 -6,505 549,496 5,4012 6 2 2 8,0238 0,280515927682166
50442693 50442693.mol2, BDB-kin50442693.pdbqt 276,91 68,24 -6,966 357,46 2,7201 5 2 0 1,4084 0,445808342425395
50442694 50442694.mol2, BDB-kin50442694.pdbqt 274,74 62,45 -6,89 358,444 3,1179 5 2 0 3,7018 0,481535942498301
50442695 50442695.mol2, BDB-kin50442695.pdbqt 242,13 42,22 -6,531 314,391 3,1387 4 1 0 5,8673 0,521835460482323
50442696 50442696.mol2, BDB-kin50442696.pdbqt 198,91 56,21 -5,731 260,299 2,09 4 1 0 2,4372 0,60291970250403
50442697 50442697.mol2, BDB-kin50442697.pdbqt 260,37 55,11 -6,438 337,385 3,2968 5 1 0 4,1389 0,511767820328663
50442698 50442698.mol2, BDB-kin50442698.pdbqt 217,92 74,14 -2,105 271,327 -1,1867 7 2 0 7,0877 0,943017054547881
50441660 50441660.mol2, BDB-kin50441660.pdbqt 318,71 84,99 -8,021 409,448 3,4793 7 1 0 -2,6983 0,221248085282153
50441661 50441661.mol2, BDB-kin50441661.pdbqt 334,1 129,74 -7,147 463,517 2,4077 9 2 0 0,4585 0,345529798703096
50441662 50441662.mol2, BDB-kin50441662.pdbqt 326,21 90,3 -7,709 427,463 3,4294 8 2 0 2,5427 0,398762709486504
50441663 50441663.mol2, BDB-kin50441663.pdbqt 316,83 90,74 -5,907 421,456 1,9562 9 1 0 3,5577 0,533463046360418
50441664 50441664.mol2, BDB-kin50441664.pdbqt 303,47 90,3 -6,88 393,446 2,4863 8 2 0 4,0145 0,481339766015162
50441665 50441665.mol2, BDB-kin50441665.pdbqt 317,84 86,55 -7,197 438,442 3,3307 8 0 0 3,1997 0,416240940542998
50441666 50441666.mol2, BDB-kin50441666.pdbqt 232,13 69,4 -5,749 309,324 1,9813 6 1 0 1,0034 0,532870467730108
50441667 50441667.mol2, BDB-kin50441667.pdbqt 265,79 75,47 -6,306 351,361 2,8979 7 0 0 -1,9474 0,299375087316763
50441685 50441685.mol2, BDB-kin50441685.pdbqt 748,73 444,73 -4,03 951,141 -7,4671 26 15 3 -3,1818 0,225228699745632
50441795 50441795.mol2, BDB-kin50441795.pdbqt 210,79 62,46 -3,924 293,321 3,4911 4 2 0 2,3745 0,438405453476979
50441908 50441908.mol2, BDB-kin50441908.pdbqt 298,24 75,94 -2,802 392,526 3,1342 5 1 0 7,4718 0,790458213145358
50441909 50441909.mol2, BDB-kin50441909.pdbqt 301,4 75,94 -3,194 412,944 3,3963 5 1 0 7,5578 0,740605164488547
50441910 50441910.mol2, BDB-kin50441910.pdbqt 285,98 75,94 -2,458 378,499 2,7903 5 1 0 7,5442 0,829214144365268
These data are only available for scientific research purposes.