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Records 123421 to 123440 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439788 50439788.mol2, BDB-kin50439788.pdbqt 443,3 106,54 -7,35 573,623 4,9911 10 2 1 3,5936 0,260295397676001
50439789 50439789.mol2, BDB-kin50439789.pdbqt 471,22 96,98 -8,487 623,674 4,9596 9 3 1 4,7431 0,229292054540105
50439790 50439790.mol2, BDB-kin50439790.pdbqt 451,71 125,47 -8,005 577,679 5,7405 9 2 2 1,7039 0,073796075110185
50439862 50439862.mol2, BDB-kin50439862.pdbqt 434,08 119,66 -7,326 596,706 4,4735 9 1 1 7,5454 5,92967173687331E-02
50439863 50439863.mol2, BDB-kin50439863.pdbqt 421,38 82,72 -6,874 557,713 4,6708 7 0 1 4,1882 0,296470201708929
50439864 50439864.mol2, BDB-kin50439864.pdbqt 457,51 111,38 -8,594 610,777 5,3418 8 2 2 6,1394 7,89960440970763E-02
50439865 50439865.mol2, BDB-kin50439865.pdbqt 428,63 99,79 -7,272 583,707 5,0418 8 0 2 6,5984 0,257998019361973
50439866 50439866.mol2, BDB-kin50439866.pdbqt 443,75 111,38 -8,294 596,75 4,9355 8 2 1 5,7309 8,73777086444894E-02
50439867 50439867.mol2, BDB-kin50439867.pdbqt 465,46 122,82 -7,377 626,776 4,6928 9 2 1 4,6996 9,03403251762325E-02
50439868 50439868.mol2, BDB-kin50439868.pdbqt 443,85 102,59 -7,584 596,75 5,2132 8 1 2 6,5691 8,62368430919098E-02
50439869 50439869.mol2, BDB-kin50439869.pdbqt 417,53 108,58 -7,812 569,68 4,7618 8 1 1 4,2271 9,58667225002722E-02
50439870 50439870.mol2, BDB-kin50439870.pdbqt 425,77 108,58 -8,298 583,707 4,9568 8 1 1 4,5386 5,32864261587517E-02
50439871 50439871.mol2, BDB-kin50439871.pdbqt 449,17 117,37 -9,178 605,713 5,42 8 2 2 3,8127 0,076954067746651
50439872 50439872.mol2, BDB-kin50439872.pdbqt 418,99 111,38 -7,676 568,696 4,6183 8 2 1 4,3149 0,079187770535714
50439873 50439873.mol2, BDB-kin50439873.pdbqt 454,85 102,59 -7,992 610,777 5,6368 8 1 2 7,9015 7,67299690488838E-02
50439874 50439874.mol2, BDB-kin50439874.pdbqt 460,27 111,38 -8,486 610,777 5,3591 8 2 2 2,6376 7,64346923077056E-02
50439875 50439875.mol2, BDB-kin50439875.pdbqt 443,85 102,59 -7,614 596,75 5,2775 8 1 2 8,8832 8,51928699437073E-02
50439876 50439876.mol2, BDB-kin50439876.pdbqt 464,29 112,24 -8,573 618,756 5,6163 8 1 2 5,1854 4,46008577870874E-02
50439877 50439877.mol2, BDB-kin50439877.pdbqt 443,75 111,38 -8,324 596,75 4,8874 8 2 1 6,4633 8,80564340879707E-02
50439878 50439878.mol2, BDB-kin50439878.pdbqt 451,7 122,82 -7,107 612,749 4,2384 9 2 1 4,7878 0,060414789924081
These data are only available for scientific research purposes.