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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
115980 BDB-kin116136.mol2, BDB-kin116136.pdbqt 340,34 105,23 -4,033 427,507 3,5054 7 2 0 1,0691 0,582311787660874
115981 BDB-kin116137.mol2, BDB-kin116137.pdbqt 368,81 88,24 -3,663 454,576 3,7256 7 1 0 1,8717 0,608205929380183
115982 BDB-kin116138.mol2, BDB-kin116138.pdbqt 399,59 88,24 -4,619 494,641 4,8586 7 1 0 1,4733 0,420573071625321
115983 BDB-kin116139.mol2, BDB-kin116139.pdbqt 346,71 97,03 -3,677 426,522 3,392 7 2 0 -0,12962 0,513746650969618
115984 BDB-kin116140.mol2, BDB-kin116140.pdbqt 312,32 105,23 -3,886 387,442 2,8689 7 2 0 -2,9966 0,233994173292921
115985 BDB-kin116141.mol2, BDB-kin116141.pdbqt 371,57 88,24 -3,585 454,576 3,9869 7 1 0 2,6229 0,616977648113475
115986 BDB-kin116142.mol2, BDB-kin116142.pdbqt 404,07 101,13 -4,89 503,608 4,4906 8 1 1 2,7654 0,448269932157402
115987 BDB-kin116143.mol2, BDB-kin116143.pdbqt 404,07 101,13 -4,365 503,608 4,1392 8 1 1 2,7654 0,508638554318434
115988 BDB-kin116144.mol2, BDB-kin116144.pdbqt 354,1 105,23 -4,303 441,533 3,8474 7 2 0 0,051697 0,463035840315237
115989 BDB-kin116145.mol2, BDB-kin116145.pdbqt 359,01 94,23 -4,083 441,533 3,8775 7 1 0 -3,8277 0,320354339729125
115990 BDB-kin116146.mol2, BDB-kin116146.pdbqt 355,32 103,02 -4,482 441,533 3,5339 7 2 0 -1,8866 0,347932064667803
115991 BDB-kin116147.mol2, BDB-kin116147.pdbqt 405,31 88,24 -5,16 502,62 5,1401 7 1 2 2,7654 0,387160297406972
115992 BDB-kin116148.mol2, BDB-kin116148.pdbqt 375,23 88,24 -4,471 487,005 4,4367 7 1 0 1,3799 0,461541622263247
115993 BDB-kin116149.mol2, BDB-kin116149.pdbqt 366,16 88,24 -4,049 470,55 3,9315 7 1 0 0,01 0,4475865807773
115994 BDB-kin116150.mol2, BDB-kin116150.pdbqt 375,23 88,24 -4,471 487,005 4,4367 7 1 0 1,3799 0,461541622263247
115995 BDB-kin116151.mol2, BDB-kin116151.pdbqt 366,16 88,24 -4,049 470,55 3,9315 7 1 0 0,01 0,4475865807773
115996 BDB-kin116152.mol2, BDB-kin116152.pdbqt 388,99 88,24 -4,741 501,032 4,7787 7 1 1 -1,6958 0,262884516307652
115997 BDB-kin116153.mol2, BDB-kin116153.pdbqt 379,92 88,24 -4,319 484,577 4,2735 7 1 0 -3,0702 0,281114944583201
115998 BDB-kin116154.mol2, BDB-kin116154.pdbqt 379,92 88,24 -4,319 484,577 4,2735 7 1 0 -3,0702 0,281114944583201
115999 BDB-kin116155.mol2, BDB-kin116155.pdbqt 428,11 130,76 -3,987 568,647 3,0398 9 1 1 -0,57036 0,361158627796729
These data are only available for scientific research purposes.