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Records 3501 to 3520 of 4258
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50338197 BDB-kin50341051.mol2, BDB-kin50341051.pdbqt 263,58 135,81 -4,178 377,428 -0,2683 10 1 0 3,2886 0,752437829080108
50338873 BDB-kin50341052.mol2, BDB-kin50341052.pdbqt 412,06 123,3 -7,19 572,974 4,7706 9 4 1 -1,5792 0,162303580309987
50341034 BDB-kin50341053.mol2, BDB-kin50341053.pdbqt 270,13 137,63 -4,046 360,38 2,5848 9 3 0 1,764 0,422950841679405
50341035 BDB-kin50341054.mol2, BDB-kin50341054.pdbqt 296,79 135,67 -4,478 389,422 2,9302 10 4 0 2,9973 0,145006138094234
50341036 BDB-kin50341055.mol2, BDB-kin50341055.pdbqt 285,33 123,64 -4,299 374,407 3,2012 9 3 0 2,1687 0,144406786113056
50341037 BDB-kin50341056.mol2, BDB-kin50341056.pdbqt 285,33 123,64 -4,299 374,407 3,2012 9 3 0 2,1687 0,401129961425156
50341038 BDB-kin50341057.mol2, BDB-kin50341057.pdbqt 268,03 110,33 -4,482 356,392 3,5369 8 3 0 1,3061 0,365103063299687
50341039 BDB-kin50341058.mol2, BDB-kin50341058.pdbqt 266,79 123,22 -4,031 357,38 2,708 9 3 0 3,7091 0,450510741099773
50341040 BDB-kin50341059.mol2, BDB-kin50341059.pdbqt 232,19 123,22 -3,055 307,32 1,7425 9 3 0 3,9035 0,52196077833437
50341041 BDB-kin50341060.mol2, BDB-kin50341060.pdbqt 244,08 112,36 -3,249 321,347 1,9112 9 2 0 3,9335 0,510065157958315
50341042 BDB-kin50341061.mol2, BDB-kin50341061.pdbqt 257,02 112,36 -4,421 357,327 3,4946 9 2 0 0,41836 0,331307173321057
50341043 BDB-kin50341062.mol2, BDB-kin50341062.pdbqt 232,31 120,57 -3,579 308,304 2,2592 9 2 0 2,4864 0,482056882442726
50341044 BDB-kin50341063.mol2, BDB-kin50341063.pdbqt 266,79 123,22 -4,556 357,38 3,0594 9 3 0 2,9054 0,407002688308138
50341045 BDB-kin50341064.mol2, BDB-kin50341064.pdbqt 232,19 123,22 -2,53 307,32 1,3911 9 3 0 4,1965 0,539334562463289
50341046 BDB-kin50341065.mol2, BDB-kin50341065.pdbqt 244,08 112,36 -3,249 321,347 1,9112 9 2 0 4,8257 0,512960049084309
50341047 BDB-kin50341066.mol2, BDB-kin50341066.pdbqt 275,02 136,78 -4,169 364,368 2,4764 10 3 0 4,7757 0,358379896820341
50341048 BDB-kin50341067.mol2, BDB-kin50341067.pdbqt 248,14 103,77 -3,124 325,375 2,0058 8 2 0 -1,7655 0,296177485155071
50341049 BDB-kin50341068.mol2, BDB-kin50341068.pdbqt 247,39 109,23 -3,039 321,347 2,0668 9 3 0 4,3756 0,413400899667646
50341050 BDB-kin50341069.mol2, BDB-kin50341069.pdbqt 270,6 133,02 -3,487 346,357 1,7187 10 3 0 0,042278 0,377156225023446
50341051 BDB-kin50341070.mol2, BDB-kin50341070.pdbqt 284,36 133,02 -3,757 360,384 2,1731 10 3 0 -2,7797 0,252486354179531
These data are only available for scientific research purposes.