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Records 123621 to 123640 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50440887 50440887.mol2, BDB-kin50440887.pdbqt 274,13 55,97 -5,68 373,365 3,1452 5 0 0 1,3279 0,304570896829187
50440888 50440888.mol2, BDB-kin50440888.pdbqt 283,14 79,76 -5,825 362,395 2,7792 6 0 0 -1,6121 0,199609993726869
50440889 50440889.mol2, BDB-kin50440889.pdbqt 283,14 79,76 -5,825 362,395 2,7792 6 0 0 -1,6121 0,199609993726869
50440890 50440890.mol2, BDB-kin50440890.pdbqt 261,65 73,79 -3,819 341,377 1,0059 7 0 0 4,4545 0,487894609453185
50440891 50440891.mol2, BDB-kin50440891.pdbqt 210,19 81,99 -3,875 276,302 0,8675 6 1 0 1,2209 0,448043968600345
50440892 50440892.mol2, BDB-kin50440892.pdbqt 236,49 59,21 -3,835 304,356 1,4412 6 0 0 4,2174 0,494990156026706
50440893 50440893.mol2, BDB-kin50440893.pdbqt 285,13 55,97 -5,621 387,392 3,6164 5 0 0 1,4659 0,296180936095663
50440894 50440894.mol2, BDB-kin50440894.pdbqt 301,04 65,2 -5,325 399,428 3,4456 6 0 0 1,4125 0,310264762014204
50440895 50440895.mol2, BDB-kin50440895.pdbqt 284,69 55,97 -5,337 365,439 3,7587 5 0 0 2,8059 0,336153769749429
50440896 50440896.mol2, BDB-kin50440896.pdbqt 294,14 79,76 -5,766 376,422 3,2504 6 0 0 -1,4741 0,196984115327417
50440897 50440897.mol2, BDB-kin50440897.pdbqt 294,14 79,76 -5,766 376,422 3,2504 6 0 0 -1,4741 0,196984115327417
50440898 50440898.mol2, BDB-kin50440898.pdbqt 294,14 79,76 -5,766 376,422 3,2504 6 0 0 -1,4741 0,196984115327417
50440899 50440899.mol2, BDB-kin50440899.pdbqt 306,45 74,43 -5,175 409,448 3,3936 7 0 0 -4,4073 0,17705906741685
50440900 50440900.mol2, BDB-kin50440900.pdbqt 313,9 85,07 -4,998 408,464 2,8536 7 1 0 4,2205 0,37055848878713
50440901 50440901.mol2, BDB-kin50440901.pdbqt 327,03 98,49 -5,642 443,53 2,9138 7 0 0 4,2327 0,314707165618538
50440902 50440902.mol2, BDB-kin50440902.pdbqt 313,27 98,49 -5,41 429,503 2,4168 7 0 0 4,2153 0,341635878107278
50440903 50440903.mol2, BDB-kin50440903.pdbqt 306,01 72,1 -4,759 395,469 2,6617 7 0 0 3,6425 0,392672989117715
50440904 50440904.mol2, BDB-kin50440904.pdbqt 269,96 87,2 -5,788 356,392 1,945 8 0 0 0,19463 0,275456947945671
50440905 50440905.mol2, BDB-kin50440905.pdbqt 291,57 107,43 -5,286 386,418 1,2743 9 1 0 0,21663 0,295631270252558
50441141 50441141.mol2, BDB-kin50441141.pdbqt 310,97 100,58 -6,152 405,545 5,7329 4 1 1 0,75027 0,109011764059841
These data are only available for scientific research purposes.