• Drug Bank
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Records 2981 to 3000 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
DB03383 mol2, pdbqt 322,87 -4,695 443,905 3,3309 6 3 0 5,6848 0,601844102350156 BBB- HIA+ Caco2-
DB03384 mol2, pdbqt 176,37 -3,441 238,285 1,6317 3 2 0 -2,7735 0,465482150427949 BBB+ HIA+ Caco2+
DB03385 mol2, pdbqt 73,85 -0,799 82,1056 0,2177 2 1 0 0,98953 0,851735375076126 BBB+ HIA+ Caco2-
DB03386 mol2, pdbqt 162,66 -2,38 222,218 -1,409 4 3 0 -11,583 0,474329938522953 BBB+ HIA+ Caco2-
DB03387 mol2, pdbqt 109,02 -0,382 147,129 -1,2872 5 2 0 -4,7782 0,497661316521344 BBB+ HIA+ Caco2-
DB03388 mol2, pdbqt 308,73 -7,384 434,342 6,2841 4 1 1 2,7563 0,270011682496608 BBB+ HIA+ Caco2+
DB03389 mol2, pdbqt 99,16 0,122 150,129 -2,0188 5 4 0 -5,0602 0,29863594966451 BBB- HIA- Caco2-
DB03390 mol2, pdbqt 144,4 -0,302 191,182 -1,7231 6 4 0 2,8634 0,765133105208098 BBB+ HIA+ Caco2-
DB03391 mol2, pdbqt 257,99 -2,322 349,41 -2,0804 7 3 0 -2,4675 0,290862811309561 BBB- HIA+ Caco2-
DB03392 mol2, pdbqt 191,41 0,329 287,204 -3,0702 9 5 0 -16,624 0,138445914937054 BBB- HIA- Caco2-
DB03393 mol2, pdbqt 848,82 -8,499 1090,4 5,8898 18 9 4 1,2758 7,10990347784521E-02 BBB- HIA+ Caco2-
DB03395 mol2, pdbqt 523,51 -4,91 656,866 1,9948 12 7 3 -0,30318 0,299730432739091 BBB- HIA+ Caco2-
DB03396 mol2, pdbqt 296,27 -1,512 388,459 -1,041 9 6 1 0,019668 0,530805652780162 BBB- HIA- Caco2-
DB03397 mol2, pdbqt 380,24 1,664 607,353 -9,0596 20 9 3 -38,349 0,303844017215988 BBB- HIA- Caco2-
DB03399 mol2, pdbqt 61,99 -0,583 56,0876 0,1254 1 0 0 -0,85033 0,308066155160262 BBB+ HIA+ Caco2+
DB03400 mol2, pdbqt 137,14 -2,208 164,203 1,9411 2 1 0 -2,7349 0,499205315043487 BBB+ HIA+ Caco2+
DB03401 mol2, pdbqt 233,46 4,984 420,092 -12,792 15 9 2 -19,112 0,430715235000471 BBB+ HIA- Caco2-
DB03402 mol2, pdbqt 645,31 -7,957 733,148 11,451 6 2 2 -25,517 4,16789515362344E-02 BBB+ HIA+ Caco2-
DB03403 mol2, pdbqt 205,47 0,849 323,197 -6,3374 11 5 1 -24,391 0,472564105077823 BBB+ HIA- Caco2-
DB03404 mol2, pdbqt 127,14 -6,473 562,668 5,1545 8 4 2 -2,0517 0,159391729265031 BBB+ HIA- Caco2-
Page 
 of 344
Records 2981 to 3000 of 6870
These data are only available for scientific research purposes.