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Records 123301 to 123320 of 125298
 
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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
50439051 50439051.mol2, BDB-kin50439051.pdbqt 198,67 51,22 -3,087 262,695 2,3422 4 1 0 0,83263 0,746836655267579
50439052 50439052.mol2, BDB-kin50439052.pdbqt 184,93 68,01 -3,145 247,684 1,7349 4 2 0 0,77678 0,451949504803682
50439053 50439053.mol2, BDB-kin50439053.pdbqt 205,87 41,99 -3,847 300,667 3,2605 3 1 0 -6,3803 0,390754072475259
50439054 50439054.mol2, BDB-kin50439054.pdbqt 188,67 41,99 -3,413 246,696 2,7561 3 1 0 0,73805 0,428196875984679
50439055 50439055.mol2, BDB-kin50439055.pdbqt 190,45 41,99 -3,111 266,221 2,6545 3 1 0 -6,4424 0,434689806392313
50439056 50439056.mol2, BDB-kin50439056.pdbqt 215,55 54,02 -4,39 296,156 3,0166 4 2 0 1,3825 0,668726127863994
50439057 50439057.mol2, BDB-kin50439057.pdbqt 216,32 25,78 -3,859 260,339 3,5678 2 0 0 -2,022 0,431705341974082
50439153 50439153.mol2, BDB-kin50439153.pdbqt 290,11 64,32 -5,315 390,396 1,9831 6 1 0 3,6546 0,613062262605287
50439154 50439154.mol2, BDB-kin50439154.pdbqt 290,11 64,32 -5,315 390,396 1,9831 6 1 0 3,6546 0,613062262605287
50439155 50439155.mol2, BDB-kin50439155.pdbqt 292,83 64,32 -5,423 388,861 2,3875 6 1 0 4,9853 0,601714801066275
50439156 50439156.mol2, BDB-kin50439156.pdbqt 283,76 64,32 -5,001 372,406 1,8823 6 1 0 3,6546 0,660289926319968
50439157 50439157.mol2, BDB-kin50439157.pdbqt 283,76 64,32 -5,001 372,406 1,8823 6 1 0 3,6546 0,660289926319968
50439158 50439158.mol2, BDB-kin50439158.pdbqt 314,63 64,32 -6,051 418,45 2,7789 6 1 0 4,1585 0,512957912968741
50439159 50439159.mol2, BDB-kin50439159.pdbqt 314,63 64,32 -6,051 418,45 2,7789 6 1 0 4,1585 0,512957912968741
50439160 50439160.mol2, BDB-kin50439160.pdbqt 308,28 64,32 -5,737 400,46 2,6781 6 1 0 4,1585 0,554482743066596
50439161 50439161.mol2, BDB-kin50439161.pdbqt 296,02 64,32 -5,369 386,433 2,2802 6 1 0 3,7528 0,606042373246475
50439162 50439162.mol2, BDB-kin50439162.pdbqt 290,11 64,32 -5,315 390,396 1,9831 6 1 0 3,6546 0,613062262605287
50439163 50439163.mol2, BDB-kin50439163.pdbqt 283,76 84,55 -4,391 370,415 1,4358 7 2 0 4,8426 0,738774450342464
50439164 50439164.mol2, BDB-kin50439164.pdbqt 285,93 90,34 -4,763 369,431 1,1042 7 2 0 4,9043 0,702501498712956
50439165 50439165.mol2, BDB-kin50439165.pdbqt 301,08 110,14 -5,147 399,413 0,8599 9 1 0 -0,32702 0,455744894725183
These data are only available for scientific research purposes.