Page 
 of 213
Records 241 to 260 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115673 BDB-kin115854.mol2, BDB-kin115854.pdbqt 402,74 97,47 -3,776 498,629 4,3772 8 1 0 1,87 0,513498616036227
115674 BDB-kin115855.mol2, BDB-kin115855.pdbqt 382,07 97,47 -3,753 482,586 3,7607 8 1 0 3,0086 0,597613361022377
115675 BDB-kin115856.mol2, BDB-kin115856.pdbqt 392,57 97,47 -3,667 484,602 3,9966 8 1 0 3,0914 0,586477922093901
115676 BDB-kin115857.mol2, BDB-kin115857.pdbqt 419,59 106,7 -3,674 526,639 3,6227 9 1 1 -0,72212 0,379373530047883
115677 BDB-kin115858.mol2, BDB-kin115858.pdbqt 405,33 106,7 -2,91 500,601 3,1385 9 1 1 3,445 0,650049533443128
115678 BDB-kin115859.mol2, BDB-kin115859.pdbqt 381,57 97,47 -3,289 470,575 3,6373 8 1 0 4,308 0,65389402575692
115679 BDB-kin115860.mol2, BDB-kin115860.pdbqt 398,77 97,47 -4,029 524,545 4,1216 8 1 1 -3,6548 0,269190251770594
115680 BDB-kin115861.mol2, BDB-kin115861.pdbqt 410,15 139,99 -3,923 534,639 3,3466 10 1 1 0,99393 0,485233281122895
115681 BDB-kin115862.mol2, BDB-kin115862.pdbqt 385,56 114,54 -3,271 484,558 3,2877 9 1 0 2,91 0,643147523656365
115682 BDB-kin115863.mol2, BDB-kin115863.pdbqt 389,42 117,7 -2,782 486,574 2,7106 9 2 0 4,1694 0,693298428496421
115683 BDB-kin115864.mol2, BDB-kin115864.pdbqt 367,81 97,47 -2,989 456,548 3,231 8 1 0 4,2755 0,705070868105967
115684 BDB-kin115865.mol2, BDB-kin115865.pdbqt 360,7 123,33 -3,333 456,505 2,4119 9 2 0 0,93667 0,621200991146962
115685 BDB-kin115866.mol2, BDB-kin115866.pdbqt 417,89 100,71 -2,412 513,644 2,9308 9 1 1 5,3985 0,663106283985966
115686 BDB-kin115867.mol2, BDB-kin115867.pdbqt 378,6 88,24 -4,056 494,52 3,5759 7 1 0 0,61071 0,485183253113687
115687 BDB-kin115868.mol2, BDB-kin115868.pdbqt 416,24 91,48 -3,472 527,646 3,9029 8 1 1 3,5888 0,557312468560422
115688 BDB-kin115869.mol2, BDB-kin115869.pdbqt 403,68 97,47 -3,97 514,603 3,7935 8 1 1 -1,3569 0,33705436970485
115689 BDB-kin115870.mol2, BDB-kin115870.pdbqt 416,24 91,48 -3,472 527,646 3,9029 8 1 1 5,5226 0,563783185711568
115690 BDB-kin115872.mol2, BDB-kin115872.pdbqt 365,56 97,03 -4,265 458,539 3,558 7 2 0 2,8262 0,597368124143079
115691 BDB-kin115875.mol2, BDB-kin115875.pdbqt 360,56 101,99 -5,793 458,535 4,2793 6 2 0 -3,5634 0,228517594546736
115692 BDB-kin115876.mol2, BDB-kin115876.pdbqt 480,58 94,72 -3,659 610,779 4,404 9 1 1 4,1862 0,442345905263494
These data are only available for scientific research purposes.