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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115818 BDB-kin115996.mol2, BDB-kin115996.pdbqt 407,9 97,03 -5,239 514,647 4,8034 7 2 1 -0,61849 0,274182059986368
115819 BDB-kin115997.mol2, BDB-kin115997.pdbqt 334,43 105,23 -4,003 431,47 3,2623 7 2 0 -0,27089 0,485917114695025
115820 BDB-kin115998.mol2, BDB-kin115998.pdbqt 334,43 105,23 -4,003 431,47 3,2623 7 2 0 -0,27089 0,485917114695025
115821 BDB-kin115999.mol2, BDB-kin115999.pdbqt 429,9 100,27 -4,452 541,673 4,0591 8 2 1 2,5497 0,466119123395909
115822 BDB-kin116000.mol2, BDB-kin116000.pdbqt 396,47 120,5 -4,052 515,591 2,4619 9 3 1 -1,2287 0,369341149074259
115823 BDB-kin116001.mol2, BDB-kin116001.pdbqt 393,58 97,03 -5,299 498,604 4,4297 7 2 0 -4,063 0,223386508430277
115824 BDB-kin116002.mol2, BDB-kin116002.pdbqt 444,16 100,27 -5,216 567,711 4,5888 8 2 1 0,2345 0,294892499557186
115825 BDB-kin116003.mol2, BDB-kin116003.pdbqt 379,82 97,03 -5,029 484,577 4,0877 7 2 0 -1,6098 0,288350077776248
115826 BDB-kin116004.mol2, BDB-kin116004.pdbqt 416,14 100,27 -4,182 527,646 3,7171 8 2 1 3,4775 0,527202160178849
115827 BDB-kin116005.mol2, BDB-kin116005.pdbqt 372,31 114,1 -4,169 472,523 2,9815 8 2 0 -0,92576 0,405370782456197
115828 BDB-kin116006.mol2, BDB-kin116006.pdbqt 357,82 136,31 -4,622 479,535 2,4206 8 2 0 -7,5242 0,300133294668286
115829 BDB-kin116007.mol2, BDB-kin116007.pdbqt 396,8 105,82 -5,601 500,62 4,5505 7 3 1 -1,9241 0,230215291039717
115830 BDB-kin116008.mol2, BDB-kin116008.pdbqt 349,41 103,02 -4,452 445,497 3,2908 7 2 0 -3,2266 0,324551395642181
115831 BDB-kin116009.mol2, BDB-kin116009.pdbqt 362,9 88,24 -3,633 458,539 3,4825 7 1 0 0,53173 0,540369153419592
115832 BDB-kin116010.mol2, BDB-kin116010.pdbqt 368,92 127,52 -4,26 493,562 2,6871 8 1 0 -6,7552 0,304495896476855
115833 BDB-kin116011.mol2, BDB-kin116011.pdbqt 378,32 106,26 -3,568 474,538 2,7257 8 2 0 -1,5936 0,396686233824733
115834 BDB-kin116012.mol2, BDB-kin116012.pdbqt 325,58 94,23 -4,276 417,443 3,2094 7 1 0 -3,5075 0,207383490833411
115835 BDB-kin116013.mol2, BDB-kin116013.pdbqt 339,34 94,23 -4,546 431,47 3,5514 7 1 0 -5,4515 0,18615116248997
115836 BDB-kin116014.mol2, BDB-kin116014.pdbqt 330,67 114,46 -3,877 433,442 2,3573 8 2 0 -1,4493 0,25582830225743
115837 BDB-kin116015.mol2, BDB-kin116015.pdbqt 322,32 94,23 -3,86 405,432 2,8291 7 1 0 -3,6009 0,225564775430673
These data are only available for scientific research purposes.