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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
213784 BDB-kin222635.mol2, BDB-kin222635.pdbqt 328,16 78,01 -6,945 474,445 4,1268 7 1 0 -4,8951 0,190409816755903
213785 BDB-kin222636.mol2, BDB-kin222636.pdbqt 365,77 86,01 -7,606 484,562 5,1006 7 0 1 -5,1448 9,80532514412423E-02
213786 BDB-kin222637.mol2, BDB-kin222637.pdbqt 389,55 86,72 -6,085 549,555 3,6114 9 1 1 -3,8334 0,195102331298701
213787 BDB-kin222638.mol2, BDB-kin222638.pdbqt 350,23 111,99 -3,66 476,535 1,4115 10 1 0 4,2441 0,689152433820786
213788 BDB-kin222639.mol2, BDB-kin222639.pdbqt 302,53 83,48 -3,869 404,473 1,6693 8 1 0 2,8402 0,737869070119288
217352 BDB-kin222640.mol2, BDB-kin222640.pdbqt 293,32 99,16 -5,779 401,404 2,4036 8 2 0 2,2486 0,53334744182369
222545 BDB-kin222641.mol2, BDB-kin222641.pdbqt 382,6 114,91 -6,196 491,546 3,6108 10 2 0 -2,0256 0,236147244853088
222546 BDB-kin222642.mol2, BDB-kin222642.pdbqt 348,86 114,91 -4,989 443,502 2,3084 10 2 0 -1,4133 0,361730621183278
222547 BDB-kin222643.mol2, BDB-kin222643.pdbqt 275,28 118,67 -5,337 379,871 2,0216 7 2 0 2,2655 0,357380815022042
222548 BDB-kin222644.mol2, BDB-kin222644.pdbqt 408,42 118,15 -5,465 532,599 2,9658 11 2 2 1,8373 0,426636297784461
222549 BDB-kin222645.mol2, BDB-kin222645.pdbqt 315,07 88,61 -5,431 405,457 2,8312 8 2 0 1,8379 0,540882565660589
222550 BDB-kin222646.mol2, BDB-kin222646.pdbqt 304,24 104,68 -5,553 407,925 2,7794 7 2 0 2,5534 0,547883824559345
222551 BDB-kin222647.mol2, BDB-kin222647.pdbqt 412,18 108,92 -6,354 530,627 4,1298 10 2 1 -0,24606 0,260356227490664
222552 BDB-kin222648.mol2, BDB-kin222648.pdbqt 321,42 88,61 -5,745 423,447 2,932 8 2 0 0,49794 0,433786887692094
222553 BDB-kin222649.mol2, BDB-kin222649.pdbqt 327,77 88,61 -6,059 441,437 3,0328 8 2 0 0,49794 0,399367120847826
222554 BDB-kin222650.mol2, BDB-kin222650.pdbqt 425,54 153,68 -7,093 583,736 3,1268 11 2 2 3,8812 0,325054976195362
222555 BDB-kin222651.mol2, BDB-kin222651.pdbqt 404,43 101,08 -5,336 518,616 2,8834 10 2 1 0,6191 0,399383523279829
222556 BDB-kin222652.mol2, BDB-kin222652.pdbqt 368,84 114,91 -5,896 477,519 3,2045 10 2 0 -1,9303 0,264407348695437
222557 BDB-kin222653.mol2, BDB-kin222653.pdbqt 394,66 118,15 -5,165 518,572 2,5595 11 2 2 3,2824 0,49657219630167
222558 BDB-kin222654.mol2, BDB-kin222654.pdbqt 435,8 154,68 -5,369 595,679 2,2875 13 2 2 5,2965 0,422359067200767
These data are only available for scientific research purposes.