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Records 941 to 960 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
125408 BDB-kin127387.mol2, BDB-kin127387.pdbqt 305,95 124,62 -5,77 404,408 2,4618 9 2 0 -2,2661 0,183038833133602
125409 BDB-kin127388.mol2, BDB-kin127388.pdbqt 299,6 124,62 -5,148 386,418 2,452 9 2 0 -0,92606 0,243844838752919
125410 BDB-kin127389.mol2, BDB-kin127389.pdbqt 305,95 124,62 -5,462 404,408 2,5528 9 2 0 -2,2661 0,192133543414784
125411 BDB-kin127390.mol2, BDB-kin127390.pdbqt 240,59 102,5 -4,672 331,741 2,1281 7 2 0 -2,2369 0,238277735693772
125412 BDB-kin127391.mol2, BDB-kin127391.pdbqt 285,15 120,32 -4,789 377,386 1,2436 9 2 0 2,2753 0,398006636085788
125413 BDB-kin127394.mol2, BDB-kin127394.pdbqt 307,21 130,19 -4,943 401,401 1,9924 10 2 0 -7,385 0,195908545269007
125414 BDB-kin127395.mol2, BDB-kin127395.pdbqt 359,73 167,29 -4,413 494,582 1,3417 12 3 1 4,5703 0,367021279987656
125415 BDB-kin127398.mol2, BDB-kin127398.pdbqt 320,05 133,56 -4,073 416,492 1,4702 10 4 0 3,1382 0,430322661201963
125416 BDB-kin127399.mol2, BDB-kin127399.pdbqt 276,28 120,96 -4,787 375,338 1,8721 9 2 0 -3,5072 0,213227953845733
125417 BDB-kin127400.mol2, BDB-kin127400.pdbqt 227,22 118,71 -3,756 295,305 0,0302 8 3 0 -0,10857 0,375637413925122
125418 BDB-kin127401.mol2, BDB-kin127401.pdbqt 283,3 118,71 -5,809 387,805 2,8327 8 3 0 -0,79598 0,105031253821741
125419 BDB-kin127402.mol2, BDB-kin127402.pdbqt 384,62 167,71 -4,858 529,599 1,5466 12 3 2 3,0042 0,150088455558709
125420 BDB-kin127403.mol2, BDB-kin127403.pdbqt 378,27 167,71 -4,544 511,609 1,4458 12 3 2 4,6101 0,125157259879678
125421 BDB-kin127404.mol2, BDB-kin127404.pdbqt 289,39 131,96 -4,86 407,355 1,8764 9 3 0 -11,339 0,197494873047607
125422 BDB-kin127405.mol2, BDB-kin127405.pdbqt 288,71 131,96 -4,848 385,402 2,0794 9 3 0 -3,1316 0,210562952808739
125423 BDB-kin127406.mol2, BDB-kin127406.pdbqt 335,27 111,31 -3,641 439,493 1,8949 9 2 0 0,87118 0,626853302005535
125424 BDB-kin127408.mol2, BDB-kin127408.pdbqt 284,53 137,75 -4,61 366,428 1,5808 9 3 0 -0,28242 0,308709854708984
125425 BDB-kin127409.mol2, BDB-kin127409.pdbqt 290,88 137,75 -4,924 384,418 1,6816 9 3 0 -1,6224 0,234714115298205
125426 BDB-kin127410.mol2, BDB-kin127410.pdbqt 378,99 160,73 -4,435 513,625 1,8958 12 2 2 5,6668 0,350144383467475
125427 BDB-kin127411.mol2, BDB-kin127411.pdbqt 344,2 124,2 -4,545 454,508 2,2686 10 2 0 0,56283 0,313333886598465
These data are only available for scientific research purposes.