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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439943 50439943.mol2, BDB-kin50439943.pdbqt 430,09 102,59 -7,314 582,723 4,7588 8 1 1 6,6557 5,82856121220753E-02
50439944 50439944.mol2, BDB-kin50439944.pdbqt 425,37 99,79 -6,856 571,696 4,3212 8 0 1 4,5193 0,304556647386634
50439945 50439945.mol2, BDB-kin50439945.pdbqt 421,29 99,35 -8,701 567,708 5,8134 7 1 2 -0,5295 3,23835663551764E-02
50439946 50439946.mol2, BDB-kin50439946.pdbqt 428,63 99,79 -7,302 583,707 5,1061 8 0 2 6,6139 0,25463433574698
50439947 50439947.mol2, BDB-kin50439947.pdbqt 437,94 122,82 -6,837 598,722 3,8964 9 2 1 7,4911 6,63466244553974E-02
50439948 50439948.mol2, BDB-kin50439948.pdbqt 416,33 102,59 -7,044 568,696 4,4168 8 1 1 8,6653 0,064468472907138
50439949 50439949.mol2, BDB-kin50439949.pdbqt 401,02 128,37 -7,9 543,642 4,0059 8 3 1 3,8168 0,111163541036739
50439950 50439950.mol2, BDB-kin50439950.pdbqt 466,41 105,83 -6,467 625,792 4,1166 9 1 1 8,3646 6,46445177108819E-02
50439951 50439951.mol2, BDB-kin50439951.pdbqt 421,29 99,35 -8,701 567,708 5,9258 7 1 2 2,7323 7,49838443173351E-02
50439952 50439952.mol2, BDB-kin50439952.pdbqt 405,23 111,38 -7,406 554,669 4,1639 8 2 1 4,2256 6,61026483540643E-02
50439953 50439953.mol2, BDB-kin50439953.pdbqt 407,53 99,35 -8,431 553,681 5,4714 7 1 2 2,3914 4,96469655827995E-02
50439954 50439954.mol2, BDB-kin50439954.pdbqt 439,63 99,79 -7,68 597,734 5,4654 8 0 2 7,0244 0,227791241581273
50439955 50439955.mol2, BDB-kin50439955.pdbqt 403,77 108,58 -7,542 555,653 4,3074 8 1 1 3,9357 6,40267042625837E-02
50439956 50439956.mol2, BDB-kin50439956.pdbqt 424,64 82,72 -7,29 569,724 5,3914 7 0 2 5,5763 0,248976688602155
50439957 50439957.mol2, BDB-kin50439957.pdbqt 399,07 122,57 -7,302 543,642 3,7032 8 1 1 5,794 0,333517006821636
50440018 50440018.mol2, BDB-kin50440018.pdbqt 412,9 135,03 -5,674 555,698 3,5717 10 2 1 1,3698 0,218070203443534
50440020 50440020.mol2, BDB-kin50440020.pdbqt 282,16 123,07 -3,099 387,467 2,4007 9 2 0 -2,4547 0,157287998743079
50440116 50440116.mol2, BDB-kin50440116.pdbqt 318,99 97,81 -3,915 439,535 2,6395 7 2 0 4,0039 0,693433754411291
50440117 50440117.mol2, BDB-kin50440117.pdbqt 271,53 96,17 -3,336 368,362 1,6301 7 3 0 -6,998 0,414263604134835
50440118 50440118.mol2, BDB-kin50440118.pdbqt 260,43 104,96 -3,698 354,335 1,3636 7 4 0 -7,8584 0,408282363344577
These data are only available for scientific research purposes.