• Drug Bank
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Records 5801 to 5820 of 6870
 
Molecule Name
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TPSA
cLogS
MW
cLogP
HBA
HBD
Ro5 violations
Druglikeness
DrugScore
Blood-Brain Barrier
Human Intestinal Absorption
Caco-2 Permeability
DB08168 mol2, pdbqt 133 -2,175 175,186 0,8983 3 1 0 -6,9724 0,171972923586702 BBB+ HIA+ Caco2+
DB08169 mol2, pdbqt 239,73 -5,075 304,348 3,6825 4 2 0 -1,1589 0,141270789962827 BBB+ HIA+ Caco2+
DB08170 mol2, pdbqt 284,85 -1,988 408,43 0,8052 9 3 0 4,0008 0,504324968122844 BBB- HIA+ Caco2-
DB08171 mol2, pdbqt 191,06 -3,546 218,36 3,7233 2 1 0 -22,417 0,396647174709097 BBB+ HIA+ Caco2-
DB08172 mol2, pdbqt 263,15 -5,313 342,781 3,9004 5 2 0 -1,9332 9,43034024841566E-02 BBB- HIA+ Caco2+
DB08173 mol2, pdbqt 297,87 -4,591 401,873 2,4334 6 2 0 3,8983 0,674226310616561 BBB+ HIA+ Caco2-
DB08174 mol2, pdbqt 323,13 -5,703 441,938 3,3154 6 2 0 1,0849 0,446896035109153 BBB+ HIA+ Caco2-
DB08175 mol2, pdbqt 238,06 -2,825 268,395 4,3519 3 1 0 -8,1985 0,228982941730556 BBB+ HIA+ Caco2+
DB08176 mol2, pdbqt 151,98 -1,924 177,221 2,3116 1 1 0 -6,2508 0,469490200757534 BBB+ HIA+ Caco2+
DB08177 mol2, pdbqt 279,21 -5,379 393,87 2,5264 5 1 0 5,1151 0,216061497870456 BBB+ HIA+ Caco2-
DB08178 mol2, pdbqt 184,25 -3,33 241,253 0,7902 6 2 0 -0,25637 0,642325138660612 BBB+ HIA+ Caco2-
DB08179 mol2, pdbqt 226,6 -3,854 304,297 2,6189 6 3 0 -3,7815 0,329364752557654 BBB- HIA+ Caco2+
DB08180 mol2, pdbqt 355,9 0,098 453,451 -1,004 8 3 0 -25,812 0,407287511527225 BBB- HIA- Caco2-
DB08181 mol2, pdbqt 198,75 -4,169 256,26 3,3451 5 2 0 -5,74 8,23819364966898E-02 BBB- HIA+ Caco2+
DB08182 mol2, pdbqt 211,77 -3,9 269,307 1,6509 6 2 0 -0,8375 0,543533455006376 BBB+ HIA+ Caco2-
DB08184 mol2, pdbqt 198,28 -3,532 249,316 2,4814 3 3 0 0,6175 0,702795726609594 BBB+ HIA+ Caco2-
DB08185 mol2, pdbqt 318,52 -2,346 463,45 -2,5768 12 5 1 -19,4 0,388668119076536 BBB- HIA- Caco2-
DB08186 mol2, pdbqt 165,83 -2,634 199,252 2,3238 2 0 0 -0,78793 0,215968349741639 BBB+ HIA+ Caco2+
DB08187 mol2, pdbqt 309,71 -2,985 386,538 1,2156 6 3 0 4,9519 0,832863144148516 BBB- HIA+ Caco2-
DB08190 mol2, pdbqt 214,96 -3,208 358,174 2,0067 4 2 0 3,5872 0,825269056014445 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5801 to 5820 of 6870
These data are only available for scientific research purposes.