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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
127460 BDB-kin136463.mol2, BDB-kin136463.pdbqt 280,48 82,45 -4,971 385,426 2,6106 7 1 0 -0,11815 0,477264005487211
127461 BDB-kin136464.mol2, BDB-kin136464.pdbqt 253,16 121,36 -3,608 351,369 0,4236 9 2 0 -0,13002 0,610077325262373
127462 BDB-kin136465.mol2, BDB-kin136465.pdbqt 299,31 85,35 -5,794 413,48 3,1987 7 2 0 0,87976 0,271148467169008
127463 BDB-kin136466.mol2, BDB-kin136466.pdbqt 271,29 85,35 -4,79 373,415 2,334 7 2 0 0,15309 0,525671375665494
127464 BDB-kin136467.mol2, BDB-kin136467.pdbqt 268,97 106,31 -3,569 375,391 1,1268 9 2 0 2,3233 0,7761999875929
127465 BDB-kin136468.mol2, BDB-kin136468.pdbqt 247,34 87,38 -3,032 338,37 0,3569 8 1 0 2,5758 0,844553684439728
127467 BDB-kin136469.mol2, BDB-kin136469.pdbqt 268,14 91,68 -4,013 365,392 1,5751 8 1 0 -0,071414 0,578102524113154
127468 BDB-kin136470.mol2, BDB-kin136470.pdbqt 303,88 108,55 -4,369 417,472 1,6867 9 1 0 4,5406 0,698201292839536
127470 BDB-kin136471.mol2, BDB-kin136471.pdbqt 368,38 131 -4,955 503,561 1,8788 11 3 2 4,6541 0,548200551036499
127471 BDB-kin136472.mol2, BDB-kin136472.pdbqt 357,38 131 -4,577 489,534 1,5195 11 3 1 5,6596 0,603927775701581
127472 BDB-kin136473.mol2, BDB-kin136473.pdbqt 337,44 112,16 -4,98 479,56 2,0155 9 0 0 5,2421 0,571689280218192
127473 BDB-kin136474.mol2, BDB-kin136474.pdbqt 344,32 87,46 -4,298 467,531 2,1823 9 0 0 6,5138 0,64661620123928
127475 BDB-kin136475.mol2, BDB-kin136475.pdbqt 328,72 95,42 -5,319 453,505 2,6115 9 0 0 4,5692 0,553867671472501
127477 BDB-kin136476.mol2, BDB-kin136476.pdbqt 318,29 111,21 -4,687 442,482 1,506 10 1 0 6,1369 0,646698820283911
127478 BDB-kin136477.mol2, BDB-kin136477.pdbqt 326,14 131,44 -4,18 458,481 0,5793 11 2 1 6,2033 0,682259714982853
127479 BDB-kin136478.mol2, BDB-kin136478.pdbqt 337,14 131,44 -4,558 472,508 0,9386 11 2 1 5,1506 0,628945298048408
127480 BDB-kin136479.mol2, BDB-kin136479.pdbqt 327,38 118,55 -4,13 457,493 1,2973 10 2 0 6,2033 0,410073934178967
127481 BDB-kin136480.mol2, BDB-kin136480.pdbqt 337,14 131,44 -4,558 472,508 0,9386 11 2 1 5,1506 0,628945298048408
127482 BDB-kin136481.mol2, BDB-kin136481.pdbqt 342,05 120,44 -4,308 472,508 1,0072 11 1 1 5,8587 0,652058268896473
127483 BDB-kin136482.mol2, BDB-kin136482.pdbqt 347,31 131,44 -4,667 486,534 1,3192 11 2 1 5,2088 0,600254141672762
These data are only available for scientific research purposes.