Page 
 of 213
Records 341 to 360 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115773 BDB-kin115976.mol2, BDB-kin115976.pdbqt 374,73 88,24 -3,977 474,994 4,249 7 1 0 2,6444 0,554606491485708
115774 BDB-kin115977.mol2, BDB-kin115977.pdbqt 407,23 101,13 -4,757 524,026 4,4013 8 1 1 2,7714 0,444935068947346
115775 BDB-kin115978.mol2, BDB-kin115978.pdbqt 355,06 108,47 -3,847 462,94 2,9938 8 2 0 1,2902 0,594288537202568
115776 BDB-kin115979.mol2, BDB-kin115979.pdbqt 362,17 94,23 -4,475 461,952 4,1396 7 1 0 -3,764 0,285707080454977
115777 BDB-kin115980.mol2, BDB-kin115980.pdbqt 358,48 103,02 -4,874 461,952 3,796 7 2 0 -1,805 0,311579269292675
115778 BDB-kin115981.mol2, BDB-kin115981.pdbqt 422,23 88,24 -5,03 537,065 5,3251 7 1 2 3,6503 0,363586797451422
115804 BDB-kin115982.mol2, BDB-kin115982.pdbqt 379,29 88,24 -4,657 474,566 4,3806 7 1 0 2,9973 0,502864206386333
115805 BDB-kin115983.mol2, BDB-kin115983.pdbqt 369,31 97,47 -2,733 456,548 2,7929 8 1 0 3,6333 0,727614799938127
115806 BDB-kin115984.mol2, BDB-kin115984.pdbqt 373,07 88,24 -3,652 454,576 4,2005 7 1 0 3,4205 0,608964722426235
115807 BDB-kin115985.mol2, BDB-kin115985.pdbqt 359,81 88,24 -3,846 452,56 3,7571 7 1 0 -1,5321 0,37706280280615
115808 BDB-kin115986.mol2, BDB-kin115986.pdbqt 388,39 130,76 -3,356 516,624 2,2491 9 1 1 -4,7758 0,325918789983295
115809 BDB-kin115987.mol2, BDB-kin115987.pdbqt 383,57 97,47 -3,497 482,586 3,2771 8 1 0 -0,58251 0,442811394430259
115810 BDB-kin115988.mol2, BDB-kin115988.pdbqt 353,4 108,47 -2,605 442,521 2,365 8 2 0 4,4141 0,766837060374596
115811 BDB-kin115989.mol2, BDB-kin115989.pdbqt 373,57 88,24 -4,116 466,587 4,0991 7 1 0 0,50065 0,473809547972524
115812 BDB-kin115990.mol2, BDB-kin115990.pdbqt 370,15 117,26 -3,372 462,527 2,1893 8 3 0 -0,54281 0,491103024090753
115813 BDB-kin115991.mol2, BDB-kin115991.pdbqt 365,56 97,03 -4,265 458,539 3,558 7 2 0 0,47583 0,496792741761114
115814 BDB-kin115992.mol2, BDB-kin115992.pdbqt 402,38 100,27 -3,912 513,619 3,3751 8 2 1 1,7618 0,542340577291917
115815 BDB-kin115993.mol2, BDB-kin115993.pdbqt 351,8 97,03 -3,995 444,513 3,216 7 2 0 1,3842 0,60049556078671
115816 BDB-kin115994.mol2, BDB-kin115994.pdbqt 379,32 97,03 -4,565 472,566 3,8724 7 2 0 1,5155 0,507478966548682
115817 BDB-kin115995.mol2, BDB-kin115995.pdbqt 403,08 106,26 -4,186 502,592 3,4655 8 2 1 2,5843 0,555379769264718
These data are only available for scientific research purposes.