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Total Surface Area
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
4075 4075.mol2, BDB-kin4075.pdbqt 262,98 86,36 -4,915 348,429 3,4394 5 1 0 4,7657 0,643409529290177
4076 4076.mol2, BDB-kin4076.pdbqt 265,8 71,01 -4,22 343,389 2,6541 6 1 0 4,265 0,747412225014631
4077 4077.mol2, BDB-kin4077.pdbqt 366,9 70,59 -5,056 457,576 4,0974 7 1 0 8,85 0,309861198725704
4078 4078.mol2, BDB-kin4078.pdbqt 186,92 133,52 -3,286 302,194 1,2774 8 4 0 -1,5983 0,510448810101248
4079 4079.mol2, BDB-kin4079.pdbqt 174,13 110,02 -2,944 259,216 1,0564 6 5 0 0,74561 0,763339712099653
4080 4080.mol2, BDB-kin4080.pdbqt 174,13 110,02 -2,944 259,216 1,0564 6 5 0 0,74561 0,763339712099653
4081 4081.mol2, BDB-kin4081.pdbqt 198,99 101,23 -3,22 287,27 1,821 6 4 0 2,891 0,853412410146653
4082 4082.mol2, BDB-kin4082.pdbqt 198,99 101,23 -3,22 287,27 1,821 6 4 0 2,891 0,853412410146653
4083 4083.mol2, BDB-kin4083.pdbqt 246,49 101,23 -4,243 349,341 2,8328 6 4 0 2,856 0,72088070229855
4084 4084.mol2, BDB-kin4084.pdbqt 246,49 101,23 -4,243 349,341 2,8328 6 4 0 2,856 0,72088070229855
4085 4085.mol2, BDB-kin4085.pdbqt 270,16 147,05 -4,703 394,338 1,9112 9 4 0 -2,3305 0,372960883765205
4086 4086.mol2, BDB-kin4086.pdbqt 270,16 147,05 -4,703 394,338 1,9112 9 4 0 -2,3305 0,372960883765205
4087 4087.mol2, BDB-kin4087.pdbqt 277,33 101,23 -5,715 418,231 4,0448 6 4 0 2,8867 0,480951619056356
4088 4088.mol2, BDB-kin4088.pdbqt 277,33 101,23 -5,715 418,231 4,0448 6 4 0 2,8867 0,480951619056356
4089 4089.mol2, BDB-kin4089.pdbqt 334,83 143,75 -5,779 489,503 3,538 8 4 0 -5,9823 0,22854201581744
4090 4090.mol2, BDB-kin4090.pdbqt 334,83 143,75 -5,779 489,503 3,538 8 4 0 -5,8967 0,228593148891682
4095 4095.mol2, BDB-kin4095.pdbqt 230,58 85,85 -2,911 321,331 3,1234 5 4 0 1,5071 0,760111011316477
4096 4096.mol2, BDB-kin4096.pdbqt 234,57 102,92 -4,613 335,314 3,5198 6 4 0 1,43 0,491314210200824
4097 4097.mol2, BDB-kin4097.pdbqt 234,57 102,92 -4,613 335,314 3,5198 6 4 0 1,43 0,491314210200824
4098 4098.mol2, BDB-kin4098.pdbqt 229,34 98,74 -2,116 322,319 2,1225 6 4 0 1,5071 0,815987926742328
These data are only available for scientific research purposes.