Page 
 of 6265
Records 124761 to 124780 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446601 50446601.mol2, BDB-kin50446601.pdbqt 475,66 135,05 -7,889 641,654 3,4343 12 2 2 4,3232 0,27576009039982
50446602 50446602.mol2, BDB-kin50446602.pdbqt 525,6 144,28 -9,28 720,152 4,7223 13 2 2 4,5873 0,126570858181215
50446603 50446603.mol2, BDB-kin50446603.pdbqt 495,12 125,82 -9,286 693,652 5,1046 11 2 3 -1,3156 4,43542223345679E-02
50446604 50446604.mol2, BDB-kin50446604.pdbqt 487,43 125,82 -9,558 678,09 4,9631 11 2 2 4,5873 0,209666191042522
50446605 50446605.mol2, BDB-kin50446605.pdbqt 478,36 125,82 -9,136 661,635 4,4579 11 2 2 4,5344 0,232058358457342
50446606 50446606.mol2, BDB-kin50446606.pdbqt 472,01 125,82 -8,822 643,645 4,3571 11 2 2 4,5344 0,24206276025418
50446607 50446607.mol2, BDB-kin50446607.pdbqt 490,18 125,82 -9,196 653,709 4,9441 11 2 2 4,5165 7,81533636872127E-02
50446608 50446608.mol2, BDB-kin50446608.pdbqt 465,66 125,82 -8,508 625,655 4,2563 11 2 2 4,5344 0,253591529065371
50446609 50446609.mol2, BDB-kin50446609.pdbqt 550,36 144,28 -9,71 748,206 5,3336 13 2 3 6,8168 0,112381355138498
50446610 50446610.mol2, BDB-kin50446610.pdbqt 519,88 125,82 -9,716 721,706 5,7159 11 2 3 0,91742 5,50739031251614E-02
50446611 50446611.mol2, BDB-kin50446611.pdbqt 512,19 125,82 -9,988 706,144 5,5744 11 2 3 6,8168 0,184382639416784
50446612 50446612.mol2, BDB-kin50446612.pdbqt 503,12 125,82 -9,566 689,689 5,0692 11 2 3 6,7674 0,204562335140668
50446613 50446613.mol2, BDB-kin50446613.pdbqt 496,77 125,82 -9,252 671,699 4,9684 11 2 2 6,7674 0,212610121179959
50446614 50446614.mol2, BDB-kin50446614.pdbqt 514,94 125,82 -9,626 681,763 5,5554 11 2 3 6,7674 6,82544589905689E-02
50446615 50446615.mol2, BDB-kin50446615.pdbqt 502,68 125,82 -9,282 667,736 5,2115 11 2 3 6,7674 0,20487624716118
50446616 50446616.mol2, BDB-kin50446616.pdbqt 490,42 125,82 -8,938 653,709 4,8676 11 2 2 6,7674 0,221828293272009
50446617 50446617.mol2, BDB-kin50446617.pdbqt 539,36 144,28 -9,55 734,179 5,0643 13 2 3 3,5317 0,117154781456428
50446618 50446618.mol2, BDB-kin50446618.pdbqt 508,88 125,82 -9,556 707,679 5,4466 11 2 3 -2,365 0,03694038781328
50446619 50446619.mol2, BDB-kin50446619.pdbqt 501,19 125,82 -9,828 692,117 5,3051 11 2 3 3,5317 0,192942844413238
50446620 50446620.mol2, BDB-kin50446620.pdbqt 492,12 125,82 -9,406 675,662 4,7999 11 2 2 3,485 0,214076032140963
These data are only available for scientific research purposes.