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Records 2721 to 2740 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
35611 BDB-kin111750.mol2, BDB-kin111750.pdbqt 376,97 75,1 -5,775 493,613 3,6686 8 1 0 7,3794 0,268347376852351
35612 BDB-kin111751.mol2, BDB-kin111751.pdbqt 376,97 75,1 -5,775 493,613 3,6686 8 1 0 7,3794 0,447245628087252
35613 BDB-kin111752.mol2, BDB-kin111752.pdbqt 388,86 64,24 -5,438 507,64 3,8014 8 0 1 7,8159 0,272671358668582
35614 BDB-kin111753.mol2, BDB-kin111753.pdbqt 304,61 83,89 -4,814 403,489 1,9976 8 2 0 4,3067 0,396155336054138
35615 BDB-kin111754.mol2, BDB-kin111754.pdbqt 375,73 87,99 -4,98 494,601 2,6677 9 1 0 7,3794 0,327035162196152
35616 BDB-kin111755.mol2, BDB-kin111755.pdbqt 379,72 105,06 -5,109 508,584 2,7501 10 1 1 6,1 0,309815102490249
36409 BDB-kin115575.mol2, BDB-kin115575.pdbqt 229,16 105,64 -3,945 308,344 1,7109 7 3 0 3,3452 0,802347372574028
36609 BDB-kin115576.mol2, BDB-kin115576.pdbqt 716,91 195,43 -6,713 914,182 6,5106 14 3 3 2,3788 0,16406514556606
39677 BDB-kin115577.mol2, BDB-kin115577.pdbqt 377,77 73,7 -6,251 474,566 4,5976 7 1 0 4,1683 0,229295269800319
4552 BDB-kin111615.mol2, BDB-kin111615.pdbqt 400,59 82,88 -5,461 530,454 4,5762 8 1 1 4,1635 8,40315439282203E-02
4779 BDB-kin111616.mol2, BDB-kin111616.pdbqt 365,24 88,61 -5,595 485,946 4,0277 8 2 0 -7,6496 6,92851540693117E-02
4814 BDB-kin111617.mol2, BDB-kin111617.pdbqt 312,95 77,23 -3,471 398,48 1,836 6 3 0 8,335 0,474310994938468
4851 BDB-kin111618.mol2, BDB-kin111618.pdbqt 264,3 50,7 -5,755 346,82 4,381 4 1 0 -0,92861 0,325307737516418
50015314 BDB-kin50040381.mol2, BDB-kin50040381.pdbqt 338,34 101,58 -7,686 449,505 5,6473 6 1 1 1,2852 0,262386335751525
50018265 BDB-kin50040397.mol2, BDB-kin50040397.pdbqt 320,11 78,05 -7,397 422,491 3,9494 7 0 0 -4,1533 7,89285031090644E-02
50018266 BDB-kin50040424.mol2, BDB-kin50040424.pdbqt 260,13 60,23 -6,544 342,401 4,2279 5 0 0 -6,8855 8,89128943109822E-02
50018267 BDB-kin50042922.mol2, BDB-kin50042922.pdbqt 274,27 49,33 -6,871 366,423 4,4026 5 0 0 0,19919 0,198546459430249
50018268 BDB-kin50042923.mol2, BDB-kin50042923.pdbqt 284,27 58,56 -6,545 382,422 3,9887 6 0 0 0,2759 0,21624553154562
50026612 BDB-kin50043385.mol2, BDB-kin50043385.pdbqt 411,35 94,22 -3,552 539,634 2,461 9 2 1 7,9531 7,81267586187777E-02
50028961 BDB-kin50043386.mol2, BDB-kin50043386.pdbqt 122,22 4,93 -3,929 143,188 1,8445 1 0 0 0,27917 0,665981977700698
These data are only available for scientific research purposes.