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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
3477 3477.mol2, BDB-kin3477.pdbqt 424,89 101,55 -5,783 560,532 3,2995 10 3 1 11,184 0,401857364886447
3478 3478.mol2, BDB-kin3478.pdbqt 413,43 89,52 -6,598 545,517 4,6788 9 2 1 11,37 0,315273054056133
3479 3479.mol2, BDB-kin3479.pdbqt 422,31 98,31 -7,867 565,507 5,3084 9 3 2 10,151 0,246201481077112
3480 3480.mol2, BDB-kin3480.pdbqt 437,73 98,31 -8,603 599,952 5,9144 9 3 2 10,151 0,203238203430021
3481 3481.mol2, BDB-kin3481.pdbqt 440,94 98,31 -8,701 644,403 6,0336 9 3 2 8,3609 0,111514064284871
3482 3482.mol2, BDB-kin3482.pdbqt 451,77 98,31 -8,645 633,504 6,1567 9 3 2 2,9609 0,180925304172106
3483 3483.mol2, BDB-kin3483.pdbqt 453,15 98,31 -9,339 634,397 6,5204 9 3 2 10,151 0,174139483350736
3484 3484.mol2, BDB-kin3484.pdbqt 434,57 98,31 -8,211 579,534 5,6523 9 3 2 10,058 0,22276604826655
3485 3485.mol2, BDB-kin3485.pdbqt 444,57 107,54 -7,885 595,533 5,2384 10 3 2 10,016 0,235330785985224
3486 3486.mol2, BDB-kin3486.pdbqt 444,57 107,54 -7,885 595,533 5,2384 10 3 2 10,016 0,235330785985224
3493 3493.mol2, BDB-kin3493.pdbqt 482,33 122,56 -7,505 619,664 5,3082 9 3 2 4,1309 0,13581250588359
3494 3494.mol2, BDB-kin3494.pdbqt 390,87 86,28 -6,721 516,475 4,7795 8 2 1 8,2037 0,324711294253988
3495 3495.mol2, BDB-kin3495.pdbqt 412,04 86,28 -7,058 544,529 5,5636 8 2 2 7,0323 0,259583970781522
3496 3496.mol2, BDB-kin3496.pdbqt 424,61 86,28 -7,316 564,519 5,3126 8 2 2 10,586 0,254925068242436
3497 3497.mol2, BDB-kin3497.pdbqt 421,68 111,73 -7,172 586,546 4,4661 9 2 1 3,5123 0,167562935149849
3498 3498.mol2, BDB-kin3498.pdbqt 424,59 107,59 -7,662 564,523 4,6887 9 3 1 10,173 0,276280978421242
3499 3499.mol2, BDB-kin3499.pdbqt 441,81 93,6 -7,427 572,587 4,8627 9 3 1 11,093 0,268516971239966
3500 3500.mol2, BDB-kin3500.pdbqt 424,7 113,33 -7,231 561,584 5,1426 8 3 2 6,6683 0,265544070506679
3501 3501.mol2, BDB-kin3501.pdbqt 437,27 113,33 -7,951 581,574 5,7051 8 3 2 9,8033 0,222279797565649
3503 3503.mol2, BDB-kin3503.pdbqt 182,95 37,81 -4,53 239,252 3,3959 3 1 0 -2,165 0,399577412423809
These data are only available for scientific research purposes.