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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50446446 50446446.mol2, BDB-kin50446446.pdbqt 375,9 86,86 -7,242 500,989 5,2506 8 1 2 -29,649 0,147434618269754
50446447 50446447.mol2, BDB-kin50446447.pdbqt 374,66 99,75 -6,139 501,977 4,3407 9 1 1 -29,649 0,192496101045345
50446448 50446448.mol2, BDB-kin50446448.pdbqt 365,59 100 -7,178 490,95 4,9149 9 1 0 -29,645 0,127976053329191
50446449 50446449.mol2, BDB-kin50446449.pdbqt 374,66 99,75 -7,033 501,977 4,6883 9 1 1 -29,649 0,164340359582815
50446450 50446450.mol2, BDB-kin50446450.pdbqt 377,36 91,79 -6,804 503,992 4,3138 9 1 1 -29,649 0,141400493197003
50446451 50446451.mol2, BDB-kin50446451.pdbqt 377,36 91,79 -6,207 503,992 4,6355 9 1 1 -28,502 0,145545972051919
50446452 50446452.mol2, BDB-kin50446452.pdbqt 261,91 67,76 -4,38 333,394 2,7203 6 2 0 4,5101 0,735867001351332
50446453 50446453.mol2, BDB-kin50446453.pdbqt 380,78 119,73 -5,09 531,035 3,8109 10 1 1 -28,563 0,229685992458225
50446454 50446454.mol2, BDB-kin50446454.pdbqt 262,59 67,76 -5,184 355,347 3,9058 6 2 0 0,95696 0,506625020734251
50446455 50446455.mol2, BDB-kin50446455.pdbqt 280,61 67,76 -4,757 387,364 3,0627 6 2 0 -2,5796 0,35107752962154
50446456 50446456.mol2, BDB-kin50446456.pdbqt 279,11 67,76 -4,79 387,364 3,1707 6 2 0 -3,0415 0,338875828045115
50446457 50446457.mol2, BDB-kin50446457.pdbqt 242,81 58,53 -4,73 323,786 2,9984 5 2 0 4,3351 0,692725074977668
50446458 50446458.mol2, BDB-kin50446458.pdbqt 249,65 67,76 -4,012 319,367 2,3224 6 2 0 4,1485 0,787430400045408
50446459 50446459.mol2, BDB-kin50446459.pdbqt 237,88 75,97 -4,386 306,324 2,9235 6 2 0 0,55003 0,607741559603588
50446460 50446460.mol2, BDB-kin50446460.pdbqt 237,76 78,62 -3,818 305,34 2,1537 6 3 0 3,1859 0,80429483916288
50446461 50446461.mol2, BDB-kin50446461.pdbqt 302,22 88,07 -3,655 390,446 2,0277 8 2 0 5,67 0,780876516872016
50446462 50446462.mol2, BDB-kin50446462.pdbqt 253,18 78,62 -4,554 339,785 2,7597 6 3 0 3,2225 0,422112030278447
50446463 50446463.mol2, BDB-kin50446463.pdbqt 347,16 88,07 -5,058 464,956 3,4125 8 2 0 6,7974 0,544695741364488
50446464 50446464.mol2, BDB-kin50446464.pdbqt 340,98 121,36 -4,569 484,967 1,9867 9 2 0 4,1668 0,601202610798978
50446465 50446465.mol2, BDB-kin50446465.pdbqt 306,21 104,29 -3,869 430,919 2,217 8 2 0 5,0585 0,72064485795606
These data are only available for scientific research purposes.