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Records 124841 to 124860 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50447165 50447165.mol2, BDB-kin50447165.pdbqt 326,13 66,49 -6,641 425,922 4,8254 5 2 0 1,258 0,098146745032654
50447166 50447166.mol2, BDB-kin50447166.pdbqt 320,41 66,49 -6,892 417,943 4,963 5 2 0 -4,555 5,36476678300483E-02
50447167 50447167.mol2, BDB-kin50447167.pdbqt 303,39 66,49 -6,048 391,905 4,4863 5 2 0 -0,21636 9,51634540281647E-02
50447168 50447168.mol2, BDB-kin50447168.pdbqt 304,44 24,92 -6,102 384,909 5,4142 2 1 1 0,5979 0,323095474975399
50447169 50447169.mol2, BDB-kin50447169.pdbqt 298,72 24,92 -6,353 376,93 5,5518 2 1 1 -5,2226 0,187612776462171
50447170 50447170.mol2, BDB-kin50447170.pdbqt 278,11 24,92 -5,566 350,892 5,1423 2 1 1 0,885 0,395384290799459
50447171 50447171.mol2, BDB-kin50447171.pdbqt 281,7 24,92 -5,509 350,892 5,0751 2 1 1 -0,85244 0,307113592281664
50447618 50447618.mol2, BDB-kin50447618.pdbqt 319,44 128,47 -6,623 457,46 2,9438 8 2 0 -0,65066 0,299680166576808
50447619 50447619.mol2, BDB-kin50447619.pdbqt 364,46 154,25 -7,288 521,507 2,5772 10 2 1 -0,88945 0,242789478299734
50447620 50447620.mol2, BDB-kin50447620.pdbqt 318,2 141,36 -6,673 458,448 2,2258 9 2 0 -0,82758 0,297234965685911
50447621 50447621.mol2, BDB-kin50447621.pdbqt 306,55 108,31 -4,224 397,477 2,5715 8 2 0 0,56836 0,587271671741458
50447622 50447622.mol2, BDB-kin50447622.pdbqt 306,55 108,31 -4,532 397,477 2,4805 8 2 0 0,059455 0,522233512355299
50447623 50447623.mol2, BDB-kin50447623.pdbqt 362,36 135,89 -5,906 515,54 2,1785 9 2 1 1,5846 0,416129487983263
50447624 50447624.mol2, BDB-kin50447624.pdbqt 389,38 145,12 -5,913 557,577 1,8046 10 2 1 -0,69607 0,28020816396856
50447625 50447625.mol2, BDB-kin50447625.pdbqt 398,23 156,12 -6,403 571,603 2,1165 10 3 1 2,3882 0,362204826009685
50447626 50447626.mol2, BDB-kin50447626.pdbqt 378,04 164,13 -6,574 546,071 3,2248 9 2 1 1,792 0,344424689496689
50447627 50447627.mol2, BDB-kin50447627.pdbqt 373,03 135,89 -6,218 523,587 2,5258 9 2 1 -4,5773 0,213132538236797
50447628 50447628.mol2, BDB-kin50447628.pdbqt 373,03 135,89 -6,218 523,587 2,5258 9 2 1 -0,58058 0,286686426830925
50447629 50447629.mol2, BDB-kin50447629.pdbqt 396,14 135,89 -6,682 573,594 3,2733 9 2 1 -4,9911 0,173959296045055
50447630 50447630.mol2, BDB-kin50447630.pdbqt 388,39 159,68 -6,677 530,607 2,2606 10 2 1 -4,455 0,199976145340043
These data are only available for scientific research purposes.