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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50443504 50443504.mol2, BDB-kin50443504.pdbqt 342,8 100,52 -6,983 457,924 3,9283 8 3 0 4,0106 0,393451258553836
50443505 50443505.mol2, BDB-kin50443505.pdbqt 321,96 88,93 -6,519 436,902 3,1423 8 1 0 6,1004 0,461687500911972
50443506 50443506.mol2, BDB-kin50443506.pdbqt 355,1 97,72 -7,518 472,935 3,5029 8 2 0 4,3663 0,383361098438267
50443507 50443507.mol2, BDB-kin50443507.pdbqt 278,69 62,63 -5,252 366,855 2,5649 6 1 0 5,2956 0,630111449128021
50443508 50443508.mol2, BDB-kin50443508.pdbqt 324,11 108,39 -4,87 451,981 1,4096 9 1 0 7,0754 0,619685635734533
50443509 50443509.mol2, BDB-kin50443509.pdbqt 313,01 117,18 -5,284 437,955 1,3164 9 2 0 6,485 0,591857785507196
50443510 50443510.mol2, BDB-kin50443510.pdbqt 313,01 117,18 -5,284 437,955 1,3164 9 2 0 6,485 0,591857785507196
50443511 50443511.mol2, BDB-kin50443511.pdbqt 269,1 79,9 -6,422 364,791 3,6903 6 2 0 1,3591 0,43967346477261
50443512 50443512.mol2, BDB-kin50443512.pdbqt 325,92 97,72 -6,966 424,463 3,1875 8 2 0 3,9187 0,442564167261402
50443560 50443560.mol2, BDB-kin50443560.pdbqt 362,23 80,48 -7,263 515,415 4,1781 6 2 1 7,8141 0,336930506639605
50443561 50443561.mol2, BDB-kin50443561.pdbqt 351,23 80,48 -7,192 501,388 3,8914 6 2 1 7,3825 0,360362068731231
50443562 50443562.mol2, BDB-kin50443562.pdbqt 351,23 80,48 -7,192 501,388 3,8914 6 2 1 7,3825 0,360362068731231
50443563 50443563.mol2, BDB-kin50443563.pdbqt 360,99 93,37 -6,685 516,403 3,6196 7 2 1 7,8141 0,377259401957318
50443564 50443564.mol2, BDB-kin50443564.pdbqt 360,99 93,37 -6,685 516,403 3,6196 7 2 1 7,8141 0,377259401957318
50443565 50443565.mol2, BDB-kin50443565.pdbqt 362,23 80,48 -7,263 515,415 4,1781 6 2 1 7,8141 0,336930506639605
50443628 50443628.mol2, BDB-kin50443628.pdbqt 283,56 135,03 -5,602 418,839 1,7039 8 3 0 0,41528 0,459667057034113
50443629 50443629.mol2, BDB-kin50443629.pdbqt 303,21 118,24 -5,073 429,887 2,2569 8 2 0 3,1138 0,597275018435374
50443630 50443630.mol2, BDB-kin50443630.pdbqt 284,14 109,01 -4,977 397,433 2,1656 7 2 0 -0,95314 0,331965493876026
50443631 50443631.mol2, BDB-kin50443631.pdbqt 299,5 132,8 -5,436 404,453 1,9004 8 2 0 -2,5631 0,256826067610392
50443634 50443634.mol2, BDB-kin50443634.pdbqt 289,91 135,03 -5,916 436,829 1,8047 8 3 0 0,15932 0,407797942741413
These data are only available for scientific research purposes.