• Drug Bank
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 of 344
Records 3481 to 3500 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
DB03932 mol2, pdbqt 468,45 -6,906 603,797 5,9496 7 2 2 5,6887 0,105859453179194 BBB+ HIA+ Caco2-
DB03933 mol2, pdbqt 569,22 -5,31 847,291 1,9342 16 5 2 -3,2537 0,183148732196981 BBB- HIA- Caco2-
DB03934 mol2, pdbqt 420,16 -8,018 626,042 4,491 8 2 1 -4,1485 0,127408062686342 BBB+ HIA+ Caco2-
DB03935 mol2, pdbqt 160,58 1,415 274,201 -4,5852 10 5 0 -1,961 0,543688945143452 BBB+ HIA- Caco2-
DB03936 mol2, pdbqt 134,19 1,516 214,109 -5,004 7 4 0 -22,031 0,491787846220702 BBB+ HIA- Caco2-
DB03937 mol2, pdbqt 130,97 1,653 200,082 -5,4671 7 4 0 -24,863 0,49301953175296 BBB+ HIA- Caco2-
DB03938 mol2, pdbqt 245,8 -1,316 357,386 -2,7076 9 4 0 -10,076 0,456012154045838 BBB- HIA- Caco2-
DB03939 mol2, pdbqt 86,13 -1,148 114,104 -0,9191 4 3 0 0,39015 0,784994453446467 BBB+ HIA+ Caco2-
DB03940 mol2, pdbqt 63,87 -0,01 89,0498 -1,9732 4 2 0 -7,24 0,496648394330547 BBB+ HIA+ Caco2-
DB03941 mol2, pdbqt 174,43 -3,173 192,301 4,3454 1 1 0 -20,191 0,228658867139476 BBB+ HIA+ Caco2+
DB03942 mol2, pdbqt 223,28 3,9 388,094 -10,449 13 7 2 -28,434 0,448209856796929 BBB+ HIA- Caco2-
DB03943 mol2, pdbqt 98,65 -0,227 132,119 -4,2108 5 3 0 -13,655 0,494903585396462 BBB+ HIA+ Caco2-
DB03944 mol2, pdbqt 314,3 -5,836 425,508 3,9279 7 1 0 5,6082 0,484803705216583 BBB+ HIA+ Caco2-
DB03945 mol2, pdbqt 141,32 2,245 184,151 -4,8878 5 2 0 -17,756 0,494288055531761 BBB+ HIA- Caco2-
DB03946 mol2, pdbqt 110,06 -1,037 154,121 0,4533 4 3 0 -1,8442 0,333408949608632 BBB- HIA+ Caco2+
DB03947 mol2, pdbqt 109,17 0,366 150,129 -2,6096 5 4 0 1,085 0,519014596705674 BBB- HIA+ Caco2-
DB03948 mol2, pdbqt 231,21 -0,643 367,661 -4,1245 11 5 1 -20,551 0,454665972434388 BBB+ HIA- Caco2-
DB03949 mol2, pdbqt 376,51 -4,839 492,594 3,2515 7 4 0 -4,7247 0,273720953680016 BBB+ HIA+ Caco2-
DB03950 mol2, pdbqt 275,41 -3,075 371,46 2,052 6 2 0 6,1825 0,831734393201532 BBB+ HIA+ Caco2-
DB03951 mol2, pdbqt 193,25 1,557 301,187 -5,8542 10 6 1 -20,275 0,478589444648707 BBB- HIA- Caco2-
Page 
 of 344
Records 3481 to 3500 of 6870
These data are only available for scientific research purposes.