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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50440376 50440376.mol2, BDB-kin50440376.pdbqt 96,78 57,36 -0,526 122,131 -0,7159 4 2 0 3,0762 0,772549764874053
50440377 50440377.mol2, BDB-kin50440377.pdbqt 120,23 38,92 -2,048 146,149 0,9813 3 0 0 -0,78611 0,6300757680164
50440378 50440378.mol2, BDB-kin50440378.pdbqt 136,26 67,35 -2,937 226,037 0,6503 5 1 0 -1,9219 0,519134014914804
50440379 50440379.mol2, BDB-kin50440379.pdbqt 137,82 64,69 -1,942 172,191 0,5379 4 1 0 -1,805 0,549314307113736
50440380 50440380.mol2, BDB-kin50440380.pdbqt 128,91 41,99 -2,424 170,599 1,3198 3 1 0 0,51084 0,766848571450147
50440393 50440393.mol2, BDB-kin50440393.pdbqt 364,97 119,09 -8,543 513,501 4,6544 9 3 1 1,8245 0,16605526420794
50440473 50440473.mol2, BDB-kin50440473.pdbqt 373,71 213,09 -5,325 491,551 0,5358 13 5 1 -4,5875 6,26256943093058E-02
50440474 50440474.mol2, BDB-kin50440474.pdbqt 352,1 192,86 -5,532 461,525 1,0562 12 4 1 -5,0782 7,93085531486453E-02
50440659 50440659.mol2, BDB-kin50440659.pdbqt 369,49 87,75 -5,406 501,507 3,957 8 3 1 -4,2258 8,86537207641337E-02
50440794 50440794.mol2, BDB-kin50440794.pdbqt 293,98 80,48 -3,679 400,865 2,3795 7 1 0 1,6046 0,6996135320356
50440795 50440795.mol2, BDB-kin50440795.pdbqt 297,14 80,48 -4,071 421,283 2,6416 7 1 0 1,6046 0,647271923935265
50440796 50440796.mol2, BDB-kin50440796.pdbqt 308,02 80,48 -3,721 434,417 2,6218 7 1 0 -5,6457 0,361199937565666
50440879 50440879.mol2, BDB-kin50440879.pdbqt 306,95 65,2 -5,355 395,465 3,6887 6 0 0 2,7525 0,326574127496385
50440880 50440880.mol2, BDB-kin50440880.pdbqt 261,15 68 -4,478 332,41 2,4286 6 1 0 4,0045 0,43918573239161
50440881 50440881.mol2, BDB-kin50440881.pdbqt 251,22 89,58 -3,688 330,354 0,0113 8 1 0 4,7782 0,835948301413344
50440882 50440882.mol2, BDB-kin50440882.pdbqt 262,22 89,58 -3,629 344,381 0,4825 8 1 0 4,7979 0,830686072026929
50440883 50440883.mol2, BDB-kin50440883.pdbqt 283,71 95,55 -5,635 365,399 2,2558 7 1 0 -0,8315 0,390157929461259
50440884 50440884.mol2, BDB-kin50440884.pdbqt 250,72 83,79 -4,347 321,387 1,434 7 2 0 4,4414 0,770043998963605
50440885 50440885.mol2, BDB-kin50440885.pdbqt 239,72 83,79 -3,969 307,36 1,0747 7 2 0 3,7928 0,487394542440068
50440886 50440886.mol2, BDB-kin50440886.pdbqt 240,77 63,31 -4,364 320,326 2,3827 5 1 0 1,2564 0,673439769754134
These data are only available for scientific research purposes.