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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439523 50439523.mol2, BDB-kin50439523.pdbqt 304,89 97,2 -5,303 395,465 1,9388 9 2 0 4,0375 0,106068632472775
50439524 50439524.mol2, BDB-kin50439524.pdbqt 293,89 97,2 -4,925 381,439 1,6141 9 2 0 3,7016 0,115132609557104
50439525 50439525.mol2, BDB-kin50439525.pdbqt 318,65 97,2 -5,308 409,492 2,1948 9 2 0 3,6441 0,10308390938256
50439526 50439526.mol2, BDB-kin50439526.pdbqt 318,65 97,2 -5,308 409,492 2,1948 9 2 0 3,6441 0,596550401519445
50439527 50439527.mol2, BDB-kin50439527.pdbqt 304,89 97,2 -5,303 395,465 1,9388 9 2 0 4,0375 0,106068632472775
50439528 50439528.mol2, BDB-kin50439528.pdbqt 346,17 117,43 -4,956 453,545 2,1042 10 3 0 3,0495 0,101633541592639
50439560 50439560.mol2, BDB-kin50439560.pdbqt 166,97 41,57 -3,349 209,251 1,9263 3 1 0 1,1454 0,778975672363972
50439561 50439561.mol2, BDB-kin50439561.pdbqt 245,5 110,68 -4,792 348,192 2,4018 6 3 0 2,2779 0,664499577798506
50439711 50439711.mol2, BDB-kin50439711.pdbqt 235,24 85,31 -6,434 335,288 1,8379 6 2 0 -4,4356 0,277506109378984
50439712 50439712.mol2, BDB-kin50439712.pdbqt 184,04 96,53 -3,066 250,277 2,0787 5 1 0 -1,0232 0,563411126486616
50439713 50439713.mol2, BDB-kin50439713.pdbqt 233,33 118,37 -4,835 314,368 2,4281 6 2 0 1,1964 0,625014221446265
50439714 50439714.mol2, BDB-kin50439714.pdbqt 223,33 109,14 -5,161 298,369 2,842 5 2 0 1,106 0,581322004570677
50439715 50439715.mol2, BDB-kin50439715.pdbqt 240,53 109,14 -5,595 352,339 3,3464 5 2 0 -6,084 0,289671763119506
50439716 50439716.mol2, BDB-kin50439716.pdbqt 246,05 85,83 -4,773 349,315 2,6459 6 2 0 -4,3815 0,210184961481882
50439717 50439717.mol2, BDB-kin50439717.pdbqt 234 98,2 -3,742 336,276 1,0963 7 2 0 -3,8788 0,421577174922357
50439718 50439718.mol2, BDB-kin50439718.pdbqt 243,35 93,79 -5,396 347,299 2,6672 6 2 0 -6,73 0,312326668211727
50439719 50439719.mol2, BDB-kin50439719.pdbqt 234,28 94,04 -5,744 336,272 2,9253 6 2 0 -6,5237 0,293334782810698
50439720 50439720.mol2, BDB-kin50439720.pdbqt 234 98,2 -5,331 336,276 0,928 7 2 0 -4,3172 0,334259186325357
50439721 50439721.mol2, BDB-kin50439721.pdbqt 234 98,2 -4,667 336,276 0,8891 7 2 0 -3,3148 0,381220377948874
50439722 50439722.mol2, BDB-kin50439722.pdbqt 331,39 121,61 -5,325 465,499 3,5177 7 2 0 -4,6052 0,260504071464746
These data are only available for scientific research purposes.