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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
4032 4032.mol2, BDB-kin4032.pdbqt 442,58 118,66 -7,178 590,77 7,3044 6 2 2 3,7599 0,185896497581215
4033 4033.mol2, BDB-kin4033.pdbqt 462,58 137,12 -6,526 622,768 6,4766 8 2 2 3,8199 0,205068147604266
4034 4034.mol2, BDB-kin4034.pdbqt 498,08 171,26 -7,09 678,788 6,59 10 2 2 3,5559 0,141417839824713
4035 4035.mol2, BDB-kin4035.pdbqt 430,76 159,12 -5,898 594,714 5,9252 8 4 2 3,8138 0,254442887639204
4036 4036.mol2, BDB-kin4036.pdbqt 448,9 118,66 -7,962 631,607 7,8286 6 2 2 3,8583 0,128361602531649
4037 4037.mol2, BDB-kin4037.pdbqt 442,58 118,66 -7,178 590,77 7,3044 6 2 2 3,7599 0,111537898548729
4038 4038.mol2, BDB-kin4038.pdbqt 462,58 137,12 -6,526 622,768 6,4766 8 2 2 3,8199 0,205068147604266
4039 4039.mol2, BDB-kin4039.pdbqt 498,08 171,26 -7,09 678,788 6,59 10 2 2 3,5559 0,176772299780891
4040 4040.mol2, BDB-kin4040.pdbqt 430,76 159,12 -5,898 594,714 5,9252 8 4 2 3,8138 0,254442887639204
4041 4041.mol2, BDB-kin4041.pdbqt 415,58 144,44 -6,59 564,693 5,1806 8 2 2 3,8139 0,276676717021407
4042 4042.mol2, BDB-kin4042.pdbqt 216,5 64,43 -4,262 282,366 2,4117 3 1 0 3,6152 0,771080355308636
4043 4043.mol2, BDB-kin4043.pdbqt 231,92 64,43 -4,998 316,811 3,0177 3 1 0 3,6505 0,661146065487059
4044 4044.mol2, BDB-kin4044.pdbqt 215,26 77,32 -3,992 283,354 1,7622 4 1 0 3,6152 0,809813849396133
4045 4045.mol2, BDB-kin4045.pdbqt 226,67 64,43 -4,551 296,393 2,1837 3 1 0 3,9594 0,59533738280134
4046 4046.mol2, BDB-kin4046.pdbqt 228,04 59,33 -3,927 296,393 3,5539 3 1 0 3,9708 0,750861533681962
4047 4047.mol2, BDB-kin4047.pdbqt 293,03 84,63 -5,027 390,53 5,1995 3 1 1 3,8139 0,478830413131116
4048 4048.mol2, BDB-kin4048.pdbqt 306,79 84,63 -5,738 404,557 5,4899 3 1 1 3,8139 0,397132590688573
4050 4050.mol2, BDB-kin4050.pdbqt 235,18 72,11 -4,985 335,193 2,6593 5 1 0 4,1292 0,669822353333248
4051 4051.mol2, BDB-kin4051.pdbqt 248,94 72,11 -5,255 349,22 3,1137 5 1 0 4,4993 0,620368800843218
4052 4052.mol2, BDB-kin4052.pdbqt 262,7 72,11 -5,525 363,247 3,5681 5 1 0 2,4502 0,546814456557225
These data are only available for scientific research purposes.