• Drug Bank
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 of 344
Records 4061 to 4080 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
DB04560 mol2, pdbqt 179,76 -1,398 230,215 -0,0462 6 2 0 -1,868 0,547041658696338 BBB+ HIA+ Caco2-
DB04561 mol2, pdbqt 215,97 0,603 329,241 -5,378 10 7 1 -8,8693 0,470657318238095 BBB- HIA- Caco2-
DB04562 mol2, pdbqt 125,82 -0,379 176,124 -1,2702 6 3 0 -0,46354 0,682117945746286 BBB+ HIA+ Caco2-
DB04563 mol2, pdbqt 248,86 -3,704 388,22 2,5826 6 5 0 -1,0412 0,483767460971318 BBB+ HIA+ Caco2-
DB04564 mol2, pdbqt 116,91 0,083 178,139 -2,8365 6 4 0 -6,769 0,493797126493011 BBB+ HIA- Caco2-
DB04565 mol2, pdbqt 188,15 -1,806 252,225 -0,3746 7 4 0 1,9838 0,537937676957318 BBB+ HIA- Caco2-
DB04566 mol2, pdbqt 221,12 -0,044 348,207 -5,6802 12 5 1 -18,253 0,463555410662065 BBB+ HIA- Caco2-
DB04567 mol2, pdbqt 231,83 -1,548 319,316 -3,2514 8 4 0 -4,1895 0,284379856215771 BBB- HIA+ Caco2-
DB04568 mol2, pdbqt 149,05 -1,088 215,208 -1,8987 7 4 0 -0,38605 0,684062274881104 BBB+ HIA+ Caco2-
DB04569 mol2, pdbqt 116,56 -2,079 136,15 1,1761 2 0 0 -2,2758 0,25133070676647 BBB+ HIA+ Caco2+
DB04570 mol2, pdbqt 231,6 -1,822 520,478 -1,3645 15 4 2 4,9139 0,701873489140478 BBB- HIA- Caco2-
DB04571 mol2, pdbqt 39,44 -3,97 228,246 2,769 3 0 0 -9,2002 5,25631750363635E-02 BBB+ HIA+ Caco2+
DB04572 mol2, pdbqt 50,93 -1,917 189,222 0,9707 3 0 0 -2,216 6,81949748037572E-02 BBB+ HIA+ Caco2-
DB04573 mol2, pdbqt 60,69 -3,621 288,386 3,0245 3 3 0 -0,31086 0,347367013034937 BBB+ HIA+ Caco2+
DB04574 mol2, pdbqt 89,05 -3,395 350,434 2,4043 5 1 0 -0,071876 0,365263965079938 BBB+ HIA+ Caco2-
DB04575 mol2, pdbqt 29,46 -6,071 364,527 5,2849 2 1 1 -0,35447 0,174404153179156 BBB+ HIA+ Caco2+
DB04576 mol2, pdbqt 64,09 -2,883 369,342 -0,3848 6 1 0 5,1997 0,688246256577163 BBB- HIA+ Caco2+
DB04577 mol2, pdbqt 147,49 -2,971 175,274 1,9019 1 1 0 -3,7908 0,466269512723133 BBB+ HIA+ Caco2+
DB04578 mol2, pdbqt 268,75 -3,356 355,412 1,1175 5 2 0 3,5853 0,830205860358472 BBB+ HIA+ Caco2-
DB04579 mol2, pdbqt 286,05 -1,574 374,388 -1,4159 10 4 0 -1,5296 0,421405441108017 BBB- HIA- Caco2-
Page 
 of 344
Records 4061 to 4080 of 6870
These data are only available for scientific research purposes.