• Drug Bank
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Records 4141 to 4160 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
DB04645 mol2, pdbqt 323,68 -6,008 439,294 4,5719 7 3 0 -5,7684 0,213599704840646 BBB+ HIA- Caco2-
DB04646 mol2, pdbqt 167,88 -3,342 321,995 2,7381 2 0 0 -7,9858 0,415287388294746 BBB+ HIA+ Caco2+
DB04647 mol2, pdbqt 454,77 -2,007 580,441 2,3602 14 7 3 -106,67 0,300970193284258 BBB- HIA- Caco2-
DB04648 mol2, pdbqt 135,68 -0,87 164,272 -1,1386 3 3 0 -4,5188 0,496473825712772 BBB+ HIA+ Caco2-
DB04649 mol2, pdbqt 318,79 -0,218 440,459 -6,4395 14 8 2 5,3659 0,398536461285798 BBB- HIA+ Caco2-
DB04650 mol2, pdbqt 175,06 -2,436 244,314 0,605 5 3 0 -13,535 0,468542707098367 BBB+ HIA+ Caco2-
DB04651 mol2, pdbqt 376,16 -3,577 559,539 -2,4037 15 6 3 -42,912 0,299811132399848 BBB+ HIA- Caco2-
DB04652 mol2, pdbqt 250,33 -3,636 346,465 2,2402 4 2 0 2,0354 0,275390432018951 BBB+ HIA+ Caco2+
DB04653 mol2, pdbqt 441,77 -5,485 557,661 3,9718 9 4 1 0,64997 0,331236380433212 BBB+ HIA+ Caco2-
DB04654 mol2, pdbqt 139,82 -1,803 155,24 1,238 2 1 0 -4,955 0,104580922592154 BBB+ HIA+ Caco2+
DB04655 mol2, pdbqt 190,68 -5,486 269,134 2,7318 4 2 0 -1,7086 0,13258438292434 BBB+ HIA+ Caco2+
DB04656 mol2, pdbqt 229,62 -2,187 310,345 0,7142 6 4 0 -3,3709 0,475355500992786 BBB- HIA+ Caco2-
DB04657 mol2, pdbqt 179,16 -3,072 235,306 1,725 3 1 0 0,17663 0,150253023344665 BBB+ HIA+ Caco2+
DB04658 mol2, pdbqt 111,29 -0,453 175,183 -1,8665 5 5 0 1,1482 0,86582897546139 BBB+ HIA- Caco2-
DB04659 mol2, pdbqt 274,33 -0,582 407,463 -0,4325 9 5 0 -0,32915 0,369785481227967 BBB+ HIA- Caco2-
DB04660 mol2, pdbqt 197,69 2,026 258,23 -4,5359 7 3 0 -30,63 0,486743207468273 BBB+ HIA- Caco2-
DB04661 mol2, pdbqt 752,4 -8,311 890,313 11,328 12 6 4 -23,067 6,54087335520842E-02 BBB- HIA- Caco2-
DB04662 mol2, pdbqt 291,78 -3,635 370,455 2,2357 8 4 0 3,3898 0,46959662921031 BBB- HIA+ Caco2-
DB04663 mol2, pdbqt 161,29 1,98 274,117 -6,3665 10 6 1 -22,07 0,484184331460829 BBB+ HIA- Caco2-
DB04664 mol2, pdbqt 360,07 -2,283 494,575 -0,462 11 7 2 -18,665 0,366544105279468 BBB+ HIA- Caco2-
Page 
 of 344
Records 4141 to 4160 of 6870
These data are only available for scientific research purposes.