• Drug Bank
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Records 3921 to 3940 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
DB04407 mol2, pdbqt 238,79 -4,125 313,384 3,3101 6 3 0 2,0602 0,706295765066101 BBB+ HIA+ Caco2+
DB04408 mol2, pdbqt 478,75 -9,287 659,642 1,9177 13 4 2 -2,0151 4,80055500434416E-02 BBB- HIA+ Caco2-
DB04409 mol2, pdbqt 212,65 0,96 368,363 -3,8339 9 3 0 -2,8564 0,385189911077185 BBB+ HIA+ Caco2-
DB04410 mol2, pdbqt 123,06 -1,958 135,209 1,549 1 1 0 -3,5308 0,491717877025915 BBB+ HIA+ Caco2+
DB04411 mol2, pdbqt 205,79 -1,983 293,149 -0,1805 5 4 0 2,5439 0,116935782160477 BBB+ HIA+ Caco2-
DB04414 mol2, pdbqt 0 -0,53 95,94 0 0 0 0 -1 0,180381316679992 BBB+ HIA+ Caco2+
DB04415 mol2, pdbqt 156,07 -2,338 199,68 1,1158 2 2 0 0,19898 0,210853587330851 BBB+ HIA+ Caco2+
DB04416 mol2, pdbqt 311,5 -5,503 403,454 2,3601 7 2 0 -6,7315 0,29334203501396 BBB- HIA+ Caco2-
DB04417 mol2, pdbqt 103,28 -1,78 139,11 0,3923 4 1 0 -7,5665 0,485055310756452 BBB+ HIA+ Caco2+
DB04418 mol2, pdbqt 298,69 -0,627 463,295 -6,1621 16 7 2 -21,199 0,399585035773989 BBB+ HIA- Caco2-
DB04419 mol2, pdbqt 112,16 -1,216 131,174 -1,6279 3 2 0 -18,127 0,491196102668099 BBB+ HIA+ Caco2-
DB04421 mol2, pdbqt 494,38 -1,18 748,554 -6,421 22 9 3 -27,907 0,259241083593976 BBB- HIA- Caco2-
DB04422 mol2, pdbqt 102 -1,333 135,186 -2,6039 3 2 0 -17,583 0,490587865151337 BBB+ HIA+ Caco2-
DB04423 mol2, pdbqt 464,72 -10,82 711,635 3,2898 12 4 2 -1,2884 9,06520704664268E-02 BBB+ HIA+ Caco2-
DB04424 mol2, pdbqt 364,13 -4,782 458,56 2,4826 7 4 0 1,4175 0,547504759970452 BBB+ HIA+ Caco2-
DB04425 mol2, pdbqt 176,12 -2,172 255,233 -3,3996 9 6 1 3,7445 0,936564585756373 BBB+ HIA+ Caco2-
DB04426 mol2, pdbqt 169,04 -0,151 235,235 -2,1825 7 4 0 -5,6952 0,489536281143051 BBB- HIA- Caco2-
DB04427 mol2, pdbqt 483,42 -4,026 621,8 3,6717 10 3 1 1,562 0,251530417092939 BBB+ HIA+ Caco2-
DB04429 mol2, pdbqt 179,88 -3,232 240,257 2,8471 3 1 0 -0,22006 0,621603585364637 BBB+ HIA+ Caco2+
DB04430 mol2, pdbqt 247,97 -3,574 303,328 1,5466 7 3 0 -7,535 5,51697582062274E-02 BBB+ HIA+ Caco2+
Page 
 of 344
Records 3921 to 3940 of 6870
These data are only available for scientific research purposes.