• Drug Bank
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Records 1401 to 1420 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
DB01676 mol2, pdbqt 156,53 -3,34 227,132 -0,7613 9 0 0 -7,6962 0,162420902586831 BBB+ HIA+ Caco2+
DB01677 mol2, pdbqt 88,2 -0,246 116,072 -0,9188 4 2 0 1,9085 0,199926308940568 BBB+ HIA+ Caco2-
DB01678 mol2, pdbqt 451,8 -4,625 607,598 0,5817 11 4 2 -17,857 0,240575057552623 BBB+ HIA- Caco2-
DB01679 mol2, pdbqt 139,87 1,909 220,053 -5,1966 7 3 0 -30,901 0,491348121662607 BBB+ HIA- Caco2-
DB01681 mol2, pdbqt 217,86 -1,694 342,168 -1,4298 12 6 2 -1,8442 0,250225523417191 BBB+ HIA+ Caco2+
DB01682 mol2, pdbqt 301,06 1,527 439,345 -4,7192 11 4 1 -25,443 0,2509592826191 BBB+ HIA- Caco2-
DB01683 mol2, pdbqt 474,13 -4,241 607,71 1,014 13 8 3 -1,722 0,291454437703062 BBB- HIA- Caco2-
DB01684 mol2, pdbqt 90,06 -0,338 124,16 -2,294 3 3 0 -1,3796 0,59427348581087 BBB+ HIA+ Caco2-
DB01685 mol2, pdbqt 91,14 -4,063 248,249 0,6033 6 1 0 -2,8935 0,351177144173447 BBB+ HIA+ Caco2+
DB01686 mol2, pdbqt 166,21 -0,67 202,257 -3,4521 6 3 0 -10,841 0,489925756171401 BBB- HIA+ Caco2-
DB01687 mol2, pdbqt 219,82 0,551 342,296 -4,4579 11 8 2 -7,6104 0,279940466299753 BBB+ HIA- Caco2-
DB01688 mol2, pdbqt 91,87 -1,664 108,14 1,6578 1 1 0 -2,315 0,113199207829661 BBB+ HIA+ Caco2+
DB01689 mol2, pdbqt 290,67 -3,453 390,459 2,0923 7 3 0 -3,209 0,247619635552469 BBB+ HIA+ Caco2-
DB01690 mol2, pdbqt 466,5 -1,296 756,41 -10,184 26 9 3 -30,229 0,257880799202657 BBB+ HIA- Caco2-
DB01691 mol2, pdbqt 291,64 -3,531 374,443 2,0862 6 1 0 2,9661 0,78334365996104 BBB+ HIA+ Caco2+
DB01692 mol2, pdbqt 110,44 -2,04 154,253 -0,292 2 2 0 -5,227 0,485261943830476 BBB+ HIA+ Caco2-
DB01694 mol2, pdbqt 99,4 0,324 150,086 -2,7102 6 4 0 2,414 0,56959957686149 BBB+ HIA- Caco2-
DB01695 mol2, pdbqt 130,41 -0,119 181,084 -5,7297 6 2 0 -8,2556 0,492931863199909 BBB+ HIA- Caco2-
DB01697 mol2, pdbqt 321,63 0,851 504,436 -6,295 16 11 3 -11,5 0,371142111258875 BBB+ HIA- Caco2-
DB01698 mol2, pdbqt 397,71 -2,398 610,519 -1,2573 16 10 3 1,9337 0,546603976581601 BBB- HIA+ Caco2-
Page 
 of 344
Records 1401 to 1420 of 6870
These data are only available for scientific research purposes.