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Records 123441 to 123460 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439879 50439879.mol2, BDB-kin50439879.pdbqt 483,94 102,59 -9,473 662,784 6,4672 8 1 2 6,1854 6,06822331065777E-02
50439880 50439880.mol2, BDB-kin50439880.pdbqt 435,64 82,72 -7,698 583,751 5,815 7 0 2 5,6477 0,21980595971157
50439881 50439881.mol2, BDB-kin50439881.pdbqt 451,7 122,82 -7,107 612,749 4,3508 9 2 1 8,9509 5,97643365064008E-02
50439882 50439882.mol2, BDB-kin50439882.pdbqt 489,22 132,05 -7,028 656,802 4,2583 10 2 1 5,9494 7,62199129038424E-02
50439883 50439883.mol2, BDB-kin50439883.pdbqt 414,87 99,79 -7,002 569,68 4,6998 8 0 1 8,0637 0,28677095024075
50439884 50439884.mol2, BDB-kin50439884.pdbqt 430,09 102,59 -7,314 582,723 4,8712 8 1 1 9,2199 9,54648265607719E-02
50439885 50439885.mol2, BDB-kin50439885.pdbqt 433,73 139,81 -7,331 587,695 3,752 9 3 1 1,8151 8,15207396827762E-02
50439886 50439886.mol2, BDB-kin50439886.pdbqt 476,35 115,48 -8,889 645,782 5,7169 9 1 2 7,5254 6,99731292316452E-02
50439887 50439887.mol2, BDB-kin50439887.pdbqt 447,84 119,66 -7,596 610,733 4,9279 9 1 1 8,6817 8,83377157624682E-02
50439888 50439888.mol2, BDB-kin50439888.pdbqt 418,99 111,38 -7,676 568,696 4,5059 8 2 1 4,5439 0,060469973842934
50439889 50439889.mol2, BDB-kin50439889.pdbqt 398,82 79,48 -8,051 528,671 5,7836 6 0 2 6,6195 0,145582198552543
50439890 50439890.mol2, BDB-kin50439890.pdbqt 403,19 134,16 -7,976 542,658 3,6081 8 3 1 1,0759 6,11782652384901E-02
50439891 50439891.mol2, BDB-kin50439891.pdbqt 402,08 79,48 -8,407 540,682 6,104 6 0 2 1,9948 0,209096852353343
50439892 50439892.mol2, BDB-kin50439892.pdbqt 406,46 101,16 -8,525 549,649 5,4123 7 1 2 2,6369 0,235539741674913
50439893 50439893.mol2, BDB-kin50439893.pdbqt 420,56 134,8 -7,587 574,652 3,695 9 2 1 1,805 0,286472508275521
50439894 50439894.mol2, BDB-kin50439894.pdbqt 467,61 111,82 -7,235 626,776 4,7787 9 1 1 7,6862 0,090479969953353
50439895 50439895.mol2, BDB-kin50439895.pdbqt 406,07 96,55 -8,389 554,665 5,7544 7 0 2 1,8804 0,213448230889981
50439900 50439900.mol2, BDB-kin50439900.pdbqt 432,62 116,86 -7,284 597,69 4,7565 9 0 1 6,8448 0,263355430090081
50439901 50439901.mol2, BDB-kin50439901.pdbqt 470,18 102,59 -9,203 648,757 6,0128 8 1 2 4,9704 3,95457938207498E-02
50439902 50439902.mol2, BDB-kin50439902.pdbqt 417,43 117,37 -8,522 569,68 4,3717 8 2 1 2,4993 9,58202519607295E-02
These data are only available for scientific research purposes.