Page 
 of 6265
Records 125241 to 125260 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50451834 50451834.mol2, BDB-kin50451834.pdbqt 235,21 71,42 -2,975 337,337 1,3383 5 1 0 3,8755 0,863232026692734
50451835 50451835.mol2, BDB-kin50451835.pdbqt 234,71 70,89 -3,156 337,337 1,5952 5 1 0 4,2394 0,853632674429111
50451836 50451836.mol2, BDB-kin50451836.pdbqt 280,71 84,22 -5,756 395,417 3,5239 6 2 0 1,6345 0,234530274630832
50451837 50451837.mol2, BDB-kin50451837.pdbqt 235,21 71,42 -2,999 337,337 1,3923 5 1 0 3,8755 0,861497888728225
50451838 50451838.mol2, BDB-kin50451838.pdbqt 294,47 84,22 -6,026 409,444 3,9783 6 2 0 -1,8961 0,130006839767182
50451839 50451839.mol2, BDB-kin50451839.pdbqt 247,52 71,42 -4,309 371,782 1,5586 5 1 0 3,7621 0,739204586646902
50451840 50451840.mol2, BDB-kin50451840.pdbqt 322,94 67,23 -5,656 436,514 4,1985 6 1 0 4,9536 0,228027183278706
50451841 50451841.mol2, BDB-kin50451841.pdbqt 280,71 84,22 -5,756 395,417 3,5239 6 2 0 1,6345 0,390883791051388
50453567 50453567.mol2, BDB-kin50453567.pdbqt 228,3 111,38 -2,562 302,285 1,1703 7 4 0 1,1563 0,480207443797547
50453568 50453568.mol2, BDB-kin50453568.pdbqt 322,53 99,02 -4,977 437,534 4,3584 6 4 0 0,27069 0,409898758574845
50453569 50453569.mol2, BDB-kin50453569.pdbqt 319,84 99,02 -4,227 407,465 4,3576 6 4 0 -6,8567 0,305621028853706
50453570 50453570.mol2, BDB-kin50453570.pdbqt 324,56 99,02 -5,667 427,455 4,7773 6 4 0 -0,15624 0,324275786918108
50453571 50453571.mol2, BDB-kin50453571.pdbqt 317,08 99,02 -4,117 407,465 4,1215 6 4 0 1,0009 0,552429907048992
50453572 50453572.mol2, BDB-kin50453572.pdbqt 228,76 111,05 -2,403 304,301 0,8616 7 5 0 1,275 0,489583990521257
50453573 50453573.mol2, BDB-kin50453573.pdbqt 303,32 111,38 -3,85 392,41 2,5865 7 4 0 0,68867 0,376099258798188
50453574 50453574.mol2, BDB-kin50453574.pdbqt 244,82 99,02 -2,517 317,34 2,005 6 4 0 -10,345 0,445719300436749
50453575 50453575.mol2, BDB-kin50453575.pdbqt 286,6 99,02 -3,878 371,432 3,351 6 4 0 -4,4171 0,372105315059425
50453576 50453576.mol2, BDB-kin50453576.pdbqt 278,56 99,02 -3,575 365,384 3,0187 6 4 0 -0,11793 0,572043620031719
50453577 50453577.mol2, BDB-kin50453577.pdbqt 317,08 99,02 -4,325 407,465 4,3307 6 4 0 0,65745 0,301047483455497
50453578 50453578.mol2, BDB-kin50453578.pdbqt 318,27 99,02 -4,129 401,501 4,8269 6 4 0 -7,6902 0,17425092114247
These data are only available for scientific research purposes.