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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
118953 BDB-kin125338.mol2, BDB-kin125338.pdbqt 266,78 64,69 -7,006 348,408 4,2832 4 1 0 -1,805 0,119122906192304
118954 BDB-kin125339.mol2, BDB-kin125339.pdbqt 247,12 82,24 -7,158 327,346 2,7146 6 1 0 2,2591 0,473384835908767
118955 BDB-kin125340.mol2, BDB-kin125340.pdbqt 351,46 112,28 -9,822 474,523 5,5911 8 1 1 -6,7222 5,17705058102541E-02
118956 BDB-kin125341.mol2, BDB-kin125341.pdbqt 265,54 77,58 -6,797 349,396 3,7209 5 1 0 -1,805 0,12957289976824
118957 BDB-kin125342.mol2, BDB-kin125342.pdbqt 265,54 77,58 -6,543 349,396 3,739 5 1 0 -1,805 0,133184640443798
118958 BDB-kin125343.mol2, BDB-kin125343.pdbqt 245,88 95,13 -5,391 328,334 1,7658 7 1 0 3,2305 0,637175781657865
118959 BDB-kin125344.mol2, BDB-kin125344.pdbqt 246,91 69,87 -8,394 326,358 4,0848 5 1 0 0,60341 0,123862646446744
118963 BDB-kin125345.mol2, BDB-kin125345.pdbqt 256,47 77,83 -6,891 338,369 3,9971 5 1 0 -1,0686 0,288113116517403
118970 BDB-kin125346.mol2, BDB-kin125346.pdbqt 258,55 90,3 -6,019 347,377 2,7969 7 1 0 1,1879 0,177938161551807
119054 BDB-kin125347.mol2, BDB-kin125347.pdbqt 257,93 82,76 -6,453 341,373 3,0603 6 1 0 3,358 0,245989854993615
119346 BDB-kin125348.mol2, BDB-kin125348.pdbqt 284,77 93,1 -6,163 374,447 3,276 7 2 0 6,9277 0,249622350206893
119350 BDB-kin125349.mol2, BDB-kin125349.pdbqt 280,5 87,96 -5,307 375,431 2,6782 7 1 0 8,3123 0,222389883132446
119517 BDB-kin125350.mol2, BDB-kin125350.pdbqt 188,6 69,35 -6,175 250,26 1,9653 5 1 0 1,0867 0,515098487447304
119518 BDB-kin125351.mol2, BDB-kin125351.pdbqt 248,58 87,17 -6,72 330,35 1,7778 7 1 0 5,219 0,530841165620839
119519 BDB-kin125352.mol2, BDB-kin125352.pdbqt 321,52 88,72 -7,288 425,495 2,8444 8 1 0 7,9974 0,442503731384496
119521 BDB-kin125353.mol2, BDB-kin125353.pdbqt 280,75 92,9 -5,411 376,419 1,803 8 1 0 9,6958 0,622171592713012
119523 BDB-kin125354.mol2, BDB-kin125354.pdbqt 278,18 101,62 -7,664 363,379 3,8327 6 1 0 -5,3486 0,103982555094348
119524 BDB-kin125355.mol2, BDB-kin125355.pdbqt 270,75 96,29 -6,619 362,388 3,4496 7 1 0 -3,6863 9,61637523802154E-02
119526 BDB-kin125356.mol2, BDB-kin125356.pdbqt 270,75 96,29 -5,928 362,388 3,1335 7 1 0 -3,6863 8,12129631004617E-02
119527 BDB-kin125357.mol2, BDB-kin125357.pdbqt 279,93 121,4 -9,145 382,382 3,4195 8 2 0 2,2591 0,319299121169919
These data are only available for scientific research purposes.