Page 
 of 6265
Records 124521 to 124540 of 125298
 
Download
Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50445502 50445502.mol2, BDB-kin50445502.pdbqt 178,64 39,19 -3,186 243,236 2,5209 3 0 0 -1,7638 0,501137702837082
50445503 50445503.mol2, BDB-kin50445503.pdbqt 194,55 48,42 -2,89 255,272 2,3501 4 0 0 -0,28546 0,637161292675474
50445504 50445504.mol2, BDB-kin50445504.pdbqt 277,89 35,53 -7,57 366,415 6,011 3 0 1 -0,62544 4,52646727908803E-02
50445505 50445505.mol2, BDB-kin50445505.pdbqt 186,23 26,3 -4,295 260,238 3,6226 2 0 0 -1,9654 0,246109009975565
50445506 50445506.mol2, BDB-kin50445506.pdbqt 179,88 26,3 -3,981 242,248 3,5218 2 0 0 -1,9654 0,259311710476974
50445507 50445507.mol2, BDB-kin50445507.pdbqt 179,88 26,3 -3,981 242,248 3,5218 2 0 0 -1,9654 0,259311710476974
50445508 50445508.mol2, BDB-kin50445508.pdbqt 179,88 26,3 -3,981 242,248 3,5218 2 0 0 -1,9654 0,259311710476974
50445509 50445509.mol2, BDB-kin50445509.pdbqt 179,88 26,3 -3,981 242,248 3,5218 2 0 0 -1,9654 0,259311710476974
50445927 50445927.mol2, BDB-kin50445927.pdbqt 282,91 80,45 -5,207 514,116 1,8969 7 0 1 -6,7661 0,165476951043798
50445928 50445928.mol2, BDB-kin50445928.pdbqt 239,79 80,45 -3,358 309,328 0,9095 7 0 0 -0,45209 0,603717033781473
50445929 50445929.mol2, BDB-kin50445929.pdbqt 256,63 80,45 -4,191 388,224 1,4598 7 0 0 -7,1784 0,239408064910831
50445930 50445930.mol2, BDB-kin50445930.pdbqt 240,39 106,23 -3,079 376,173 0,4288 9 0 0 -7,9377 0,422851265954159
50445931 50445931.mol2, BDB-kin50445931.pdbqt 258,29 80,45 -4,819 408,642 2,598 7 0 0 -7,8953 0,324006379426462
50445932 50445932.mol2, BDB-kin50445932.pdbqt 285,42 89,68 -5,106 458,193 4,0815 8 0 0 -7,9684 0,256368601519903
50445933 50445933.mol2, BDB-kin50445933.pdbqt 264,58 104,24 -4,856 399,207 1,8276 8 0 0 -12,218 0,333034530586572
50445934 50445934.mol2, BDB-kin50445934.pdbqt 294,49 102,15 -2,42 408,417 1,1469 10 0 0 -2,1896 0,459785068300648
50445935 50445935.mol2, BDB-kin50445935.pdbqt 260,26 89,68 -3,609 339,354 1,7761 8 0 0 -3,8821 0,202503493621865
50445936 50445936.mol2, BDB-kin50445936.pdbqt 261,26 80,45 -3,804 337,382 2,5546 7 0 0 0,6022 0,655059194592514
50445937 50445937.mol2, BDB-kin50445937.pdbqt 250,52 80,45 -3,664 421,193 2,2444 7 0 0 0,46692 0,603532092782448
50445938 50445938.mol2, BDB-kin50445938.pdbqt 239,66 80,45 -3,941 329,746 1,861 7 0 0 -0,9599 0,308067009934332
These data are only available for scientific research purposes.