Page 
 of 213
Records 3481 to 3500 of 4258
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50333029 BDB-kin50336865.mol2, BDB-kin50336865.pdbqt 198,45 28,68 -3,378 254,239 3,3097 2 1 0 -3,789 0,421639211814168
50333030 BDB-kin50338197.mol2, BDB-kin50338197.pdbqt 185,75 28,68 -2,75 218,258 3,1081 2 1 0 -2,449 0,472446292223291
50333031 BDB-kin50338873.mol2, BDB-kin50338873.pdbqt 194,27 54,7 -2,826 233,273 2,4308 3 2 0 -2,5485 0,481177711827982
50336404 BDB-kin50341034.mol2, BDB-kin50341034.pdbqt 215,72 109,58 -3,296 282,306 1,0572 7 3 0 3,5245 0,870366745671166
50336405 BDB-kin50341035.mol2, BDB-kin50341035.pdbqt 226,15 93,79 -3,427 293,329 1,8653 6 2 0 0,63994 0,711925028020154
50336406 BDB-kin50341036.mol2, BDB-kin50341036.pdbqt 238,41 93,79 -3,771 307,356 2,2092 6 2 0 0,63994 0,680397408624172
50336407 BDB-kin50341037.mol2, BDB-kin50341037.pdbqt 250,32 109,58 -4,773 332,366 2,1336 7 3 0 0,77442 0,600201112383127
50336408 BDB-kin50341038.mol2, BDB-kin50341038.pdbqt 215,72 109,58 -2,771 282,306 0,7058 7 3 0 3,971 0,904266645648531
50336409 BDB-kin50341039.mol2, BDB-kin50341039.pdbqt 248,41 103,02 -3,946 323,355 2,0927 7 2 0 0,69447 0,669083935481189
50336410 BDB-kin50341040.mol2, BDB-kin50341040.pdbqt 248,41 103,02 -3,946 323,355 2,0927 7 2 0 0,69447 0,669083935481189
50336411 BDB-kin50341041.mol2, BDB-kin50341041.pdbqt 215,72 109,58 -3,296 282,306 1,0572 7 3 0 3,5245 0,870366745671166
50336412 BDB-kin50341042.mol2, BDB-kin50341042.pdbqt 279,06 122,05 -2,533 367,412 0,3052 9 3 0 4,6308 0,871378411011653
50336413 BDB-kin50341043.mol2, BDB-kin50341043.pdbqt 252,04 112,82 -2,466 325,375 0,3362 8 3 0 5,3495 0,90409559252315
50336414 BDB-kin50341044.mol2, BDB-kin50341044.pdbqt 238,41 93,79 -3,771 307,356 2,2092 6 2 0 0,63994 0,680397408624172
50336415 BDB-kin50341045.mol2, BDB-kin50341045.pdbqt 248,71 97,03 -3,62 322,371 1,7152 7 2 0 1,6997 0,771803152758713
50336417 BDB-kin50341046.mol2, BDB-kin50341046.pdbqt 260,97 97,03 -3,964 336,398 2,0591 7 2 0 1,6997 0,73366212265008
50336418 BDB-kin50341047.mol2, BDB-kin50341047.pdbqt 238,06 109,58 -4,429 318,339 1,7897 7 3 0 0,77442 0,642456640416665
50336419 BDB-kin50341048.mol2, BDB-kin50341048.pdbqt 250,32 109,58 -4,773 332,366 2,1336 7 3 0 0,77442 0,600201112383127
50336420 BDB-kin50341049.mol2, BDB-kin50341049.pdbqt 203,46 109,58 -2,427 268,279 0,3619 7 3 0 3,971 0,923287431803732
50336865 BDB-kin50341050.mol2, BDB-kin50341050.pdbqt 290,66 124,2 -3,958 380,411 1,1764 10 2 0 1,283 0,693211806282488
These data are only available for scientific research purposes.