Page 
 of 213
Records 2101 to 2120 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
178315 BDB-kin178459.mol2, BDB-kin178459.pdbqt 334,01 97,25 -3,785 442,514 2,2403 9 1 0 1,8389 0,66661476858249
178316 BDB-kin178460.mol2, BDB-kin178460.pdbqt 345,51 97,25 -4,627 468,552 2,5965 9 1 0 2,2511 0,578941537527476
178317 BDB-kin178461.mol2, BDB-kin178461.pdbqt 300,16 93,81 -3,959 397,477 2,2303 8 1 0 1,8166 0,696129893560582
178318 BDB-kin178462.mol2, BDB-kin178462.pdbqt 343,11 106,12 -4,54 455,513 2,8145 10 1 0 -2,1325 0,345194989899142
178319 BDB-kin178463.mol2, BDB-kin178463.pdbqt 354,57 118,15 -4,691 470,528 2,0755 11 2 1 2,5781 0,588275699546192
178320 BDB-kin178464.mol2, BDB-kin178464.pdbqt 354,61 106,12 -5,382 481,551 3,1707 10 1 0 -1,7184 0,293026108314922
178321 BDB-kin178465.mol2, BDB-kin178465.pdbqt 368,37 106,12 -5,682 495,578 3,577 10 1 0 -7,6734 0,228251789110202
178322 BDB-kin178466.mol2, BDB-kin178466.pdbqt 310,42 106,7 -4,531 424,503 1,937 9 1 0 2,2181 0,642749169203879
178323 BDB-kin178467.mol2, BDB-kin178467.pdbqt 358,37 96,89 -5,337 479,579 3,4219 9 1 0 3,3569 0,496997733399263
178324 BDB-kin178468.mol2, BDB-kin178468.pdbqt 394,09 108,92 -5,58 510,637 3,8404 10 2 1 3,7034 0,433953496446749
178325 BDB-kin178469.mol2, BDB-kin178469.pdbqt 376,18 108,92 -5,86 512,584 3,2036 10 2 1 1,7063 0,406695387113027
178326 BDB-kin178470.mol2, BDB-kin178470.pdbqt 369,2 122,34 -6,044 515,633 2,8095 10 1 1 3,8079 0,430152164308539
178327 BDB-kin178471.mol2, BDB-kin178471.pdbqt 402,33 121,81 -5,958 543,626 3,4043 11 2 2 2,7195 0,388783857755189
178328 BDB-kin178472.mol2, BDB-kin178472.pdbqt 369,83 108,92 -5,546 494,594 3,1028 10 2 0 3,0463 0,473312958729674
178329 BDB-kin178473.mol2, BDB-kin178473.pdbqt 380,33 108,92 -5,46 496,61 3,396 10 2 0 4,0791 0,475818104511927
178330 BDB-kin178474.mol2, BDB-kin178474.pdbqt 403,79 126,74 -6,045 546,63 2,8189 12 2 2 5,2529 0,406757288238315
178331 BDB-kin178475.mol2, BDB-kin178475.pdbqt 404,28 134,95 -6,743 547,614 3,5648 12 2 2 1,9425 0,264936008114648
178332 BDB-kin178476.mol2, BDB-kin178476.pdbqt 377,68 129,15 -5,039 510,593 2,1761 11 3 2 3,1155 0,333056091465074
178333 BDB-kin185147.mol2, BDB-kin185147.pdbqt 426,5 137,6 -7,235 582,663 4,3743 12 3 2 3,2515 0,169365672195702
178334 BDB-kin185152.mol2, BDB-kin185152.pdbqt 391,44 129,15 -5,309 524,62 2,6305 11 3 2 1,3568 0,436204366446905
These data are only available for scientific research purposes.