• Drug Bank
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Records 661 to 680 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
DB00805 mol2, pdbqt 50,28 -2,567 298,389 1,5911 5 1 0 2,4865 0,870928261957407 BBB+ HIA+ Caco2+
DB00806 mol2, pdbqt 75,51 -2,176 278,311 0,9925 7 0 0 -1,5832 0,117779563553421 BBB+ HIA+ Caco2-
DB00807 mol2, pdbqt 64,79 -2,444 294,393 2,1984 5 1 0 7,7652 0,259085698808249 BBB+ HIA+ Caco2+
DB00808 mol2, pdbqt 100,88 -3,93 365,84 1,9173 6 2 0 5,9392 0,46865165190262 BBB+ HIA+ Caco2-
DB00809 mol2, pdbqt 53,43 -1,913 284,358 1,6873 4 1 0 5,2576 0,554991460027387 BBB+ HIA+ Caco2+
DB00810 mol2, pdbqt 23,47 -3,568 311,467 3,7885 2 1 0 3,2062 0,597917420993542 BBB+ HIA+ Caco2+
DB00811 mol2, pdbqt 143,72 -0,526 244,206 -2,9504 9 4 0 1,724 0,898557405847009 BBB+ HIA+ Caco2-
DB00812 mol2, pdbqt 40,62 -3,176 308,38 3,1969 4 0 0 -0,66582 0,198974139751454 BBB+ HIA+ Caco2+
DB00813 mol2, pdbqt 23,55 -3,826 336,477 4,4164 3 0 0 8,7647 0,679361042586709 BBB+ HIA+ Caco2+
DB00814 mol2, pdbqt 136,22 -2,641 351,406 1,9072 7 2 0 5,7572 0,867332223888816 BBB- HIA+ Caco2+
DB00815 mol2, pdbqt 71,98 -2,031 266,4 2,9797 4 1 0 -20,926 0,446108497677415 BBB+ HIA+ Caco2-
DB00816 mol2, pdbqt 72,72 -1,142 211,26 0,4502 4 4 0 6,2985 0,58120141442758 BBB- HIA+ Caco2-
DB00817 mol2, pdbqt 70,5 -3,866 294,309 1,4456 5 1 0 1,5778 0,761050993135957 BBB+ HIA+ Caco2+
DB00818 mol2, pdbqt 20,23 -3,062 178,274 3,6879 1 1 0 -2,3359 0,216516708952302 BBB+ HIA+ Caco2+
DB00819 mol2, pdbqt 151,66 -1,636 222,249 -0,535 7 2 0 3,5036 0,34212794880901 BBB+ HIA+ Caco2-
DB00820 mol2, pdbqt 74,87 -3,61 389,41 2,396 7 1 0 6,7598 0,777718570174191 BBB+ HIA+ Caco2+
DB00821 mol2, pdbqt 53,09 -4,724 273,718 3,5326 3 2 0 0,9665 0,593855147201825 BBB+ HIA+ Caco2+
DB00822 mol2, pdbqt 121,26 -3,266 296,547 3,343 2 0 0 0,97088 0,091320227822589 BBB+ HIA+ Caco2+
DB00823 mol2, pdbqt 52,6 -5,086 384,514 3,9091 4 0 0 0,29331 0,164670560564177 BBB+ HIA+ Caco2+
DB00824 mol2, pdbqt 78,09 -2,413 194,193 0,2966 6 2 0 5,7339 0,568325657675044 BBB+ HIA+ Caco2-
Page 
 of 344
Records 661 to 680 of 6870
These data are only available for scientific research purposes.