• Drug Bank
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Records 4481 to 4500 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
DB06781 mol2, pdbqt 106,97 -4,633 508,556 2,7461 7 1 1 -0,35747 0,394161718674528 BBB+ HIA+ Caco2+
DB06782 mol2, pdbqt 97,83 -1,987 124,228 0,3225 1 1 0 -7,3542 0,483702768950201 BBB+ HIA+ Caco2-
DB06783 mol2, pdbqt 142,74 1,648 211,953 -1,6668 6 0 0 -4,1747 0,499173223774998 BBB+ HIA- Caco2+
DB06784 mol2, pdbqt 132,13 0,071 192,123 -2,1297 7 4 0 3,5617 0,582485462367696 BBB+ HIA- Caco2-
DB06785 mol2, pdbqt 451,49 -10,817 1570,34 3,0013 31 16 3 0,20921 0,109787520054687 BBB- HIA+ Caco2-
DB06786 mol2, pdbqt 72,83 -4,797 454,964 2,7634 5 1 0 -1,2156 0,106527785159032 BBB+ HIA+ Caco2+
DB06787 mol2, pdbqt 26,71 -1,738 317,495 1,5757 3 1 0 6,1293 0,916456823094279 BBB+ HIA- Caco2+
DB06788 mol2, pdbqt 478,27 -5,585 1323,52 -0,7553 30 16 3 8,0841 0,338875146483949 BBB- HIA+ Caco2-
DB06789 mol2, pdbqt 60,44 -5,582 428,611 5,4978 4 0 1 -13,122 4,30133575126624E-02 BBB+ HIA+ Caco2+
DB06791 mol2, pdbqt 405,68 -8,267 1096,34 0,2311 21 13 3 -2,7825 0,136671450708397 BBB- HIA+ Caco2-
DB06792 mol2, pdbqt 69,18 -0,646 60,008 -4,4924 3 0 0 -2,2548 0,542595143502686 BBB+ HIA+ Caco2+
DB06793 mol2, pdbqt 29,54 -3,353 339,477 4,2826 3 0 0 5,3569 0,717951106960563 BBB+ HIA+ Caco2+
DB06794 mol2, pdbqt 156,59 -2,759 311,637 -1,044 9 4 0 -6,7015 0,272104412094211 BBB+ HIA- Caco2-
DB06795 mol2, pdbqt 94,56 -1,475 186,234 -0,5715 4 2 0 1,3111 0,869438477449299 BBB+ HIA+ Caco2-
DB06799 mol2, pdbqt 12,96 -1,688 140,189 0,7196 4 0 0 1,5849 0,114936704683002 BBB+ HIA+ Caco2+
DB06800 mol2, pdbqt 70 -2,927 356,44 0,501 5 2 0 7,1136 0,867446826191644 BBB+ HIA+ Caco2+
DB06802 mol2, pdbqt 86,18 -3,846 254,288 1,1977 4 2 0 -0,135 0,373394255820829 BBB+ HIA+ Caco2+
DB06803 mol2, pdbqt 95,15 -4,764 327,123 2,7518 6 2 0 -4,3463 0,136262028537123 BBB+ HIA+ Caco2+
DB06804 mol2, pdbqt 103,3 -3,188 616,829 4,2695 10 1 1 -38,138 0,111895471507914 BBB+ HIA+ Caco2+
DB06809 mol2, pdbqt 78,66 -0,726 502,793 -1,0064 8 6 2 2,9941 0,722138062311017 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4481 to 4500 of 6870
These data are only available for scientific research purposes.