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Records 125041 to 125060 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50448126 50448126.mol2, BDB-kin50448126.pdbqt 242,09 76,89 -2,965 342,324 1,5897 7 2 0 -5,1058 0,261491425736669
50448127 50448127.mol2, BDB-kin50448127.pdbqt 265,8 91,45 -4,748 353,351 2,5445 7 2 0 -10,976 0,222521301016593
50448449 50448449.mol2, BDB-kin50448449.pdbqt 398,31 145,43 -6,814 539,634 4,3735 10 3 1 -2,2582 0,178221590558329
50448558 50448558.mol2, BDB-kin50448558.pdbqt 380,7 109,94 -3,881 587,604 3,4525 7 1 1 -13,984 0,251789894606281
50448559 50448559.mol2, BDB-kin50448559.pdbqt 363,5 109,94 -3,141 533,634 2,9682 7 1 1 -5,9093 0,308421082053778
50448560 50448560.mol2, BDB-kin50448560.pdbqt 354,7 106,7 -4,28 518,619 4,0155 6 1 1 -8,6983 0,260957550135418
50448561 50448561.mol2, BDB-kin50448561.pdbqt 354,7 106,7 -4,28 518,619 4,0155 6 1 1 -8,6983 0,260957550135418
50448562 50448562.mol2, BDB-kin50448562.pdbqt 369,7 109,94 -3,503 573,578 3,1278 7 1 1 -14,209 0,274029264781176
50448563 50448563.mol2, BDB-kin50448563.pdbqt 371,9 106,7 -5,02 572,589 4,4998 6 1 1 -16,869 0,196330700992164
50448564 50448564.mol2, BDB-kin50448564.pdbqt 375,66 97,47 -5,909 570,617 5,6638 5 1 2 -18,391 0,140130126982252
50448565 50448565.mol2, BDB-kin50448565.pdbqt 366,38 110,36 -4,653 565,558 4,3063 6 1 1 -14,862 0,216899485916531
50448566 50448566.mol2, BDB-kin50448566.pdbqt 379,88 97,47 -5,792 578,597 5,6511 5 1 2 -14,594 0,140935049151036
50448567 50448567.mol2, BDB-kin50448567.pdbqt 379,88 97,47 -5,792 578,597 5,6511 5 1 2 -13,442 0,140935189201568
50448568 50448568.mol2, BDB-kin50448568.pdbqt 379,88 97,47 -5,792 578,597 5,6511 5 1 2 -13,14 0,140935261389626
50448569 50448569.mol2, BDB-kin50448569.pdbqt 373,97 117,7 -5,152 580,569 4,9615 6 2 1 -12,678 0,175956023389887
50448570 50448570.mol2, BDB-kin50448570.pdbqt 373,97 117,7 -5,152 580,569 4,9615 6 2 1 -13,103 0,175955833378667
50448571 50448571.mol2, BDB-kin50448571.pdbqt 373,97 117,7 -5,152 580,569 4,9615 6 2 1 -13,041 0,112611748049578
50448572 50448572.mol2, BDB-kin50448572.pdbqt 367,62 97,47 -5,448 564,57 5,3072 5 1 2 -12,896 0,162690432762906
50448573 50448573.mol2, BDB-kin50448573.pdbqt 353,86 97,47 -5,029 550,543 5,0568 5 1 2 -13,254 0,187534215461545
50448574 50448574.mol2, BDB-kin50448574.pdbqt 331,12 97,47 -4,743 516,526 4,538 5 1 1 -13,641 0,228769359435488
These data are only available for scientific research purposes.