• Drug Bank
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 of 344
Records 4741 to 4760 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
DB07061 mol2, pdbqt 276,49 -4,199 340,509 3,6578 3 2 0 -1,2426 0,433825088696239 BBB+ HIA+ Caco2-
DB07062 mol2, pdbqt 332,39 -5,633 493,564 -0,1739 11 3 1 4,6506 0,182773794621859 BBB- HIA+ Caco2+
DB07063 mol2, pdbqt 256,79 -4,201 376,357 2,937 4 1 0 -3,6524 0,370923120734812 BBB+ HIA+ Caco2+
DB07064 mol2, pdbqt 253,28 -3,119 324,423 2,7164 4 1 0 2,5407 0,811620351335672 BBB+ HIA+ Caco2+
DB07065 mol2, pdbqt 309,57 -6,41 427,318 3,1483 6 1 0 1,0962 0,127743974524751 BBB+ HIA+ Caco2+
DB07066 mol2, pdbqt 239,73 -5,089 345,809 2,3356 5 3 0 5,2554 0,531638960961788 BBB+ HIA+ Caco2-
DB07067 mol2, pdbqt 276,44 -3,545 378,452 0,4374 8 1 0 1,2276 0,723309898814431 BBB+ HIA+ Caco2-
DB07068 mol2, pdbqt 365,28 -3,258 488,556 1,1194 11 3 1 -68,536 0,351393211635961 BBB+ HIA+ Caco2-
DB07069 mol2, pdbqt 146,68 -1,1 195,173 -0,1173 5 3 0 -3,5747 0,500647440782937 BBB+ HIA+ Caco2-
DB07070 mol2, pdbqt 310,44 -4,732 427,393 4,0059 5 2 0 -5,2119 0,290358686000116 BBB+ HIA+ Caco2-
DB07071 mol2, pdbqt 208,54 0,209 263,104 -0,9399 6 4 0 -11,042 0,387427987540847 BBB+ HIA+ Caco2-
DB07072 mol2, pdbqt 280,13 -2,366 419,372 2,6593 5 1 0 -10,652 0,398431041159499 BBB+ HIA+ Caco2-
DB07073 mol2, pdbqt 196,5 -3,196 266,364 2,2969 4 0 0 2,1566 0,829083380076284 BBB+ HIA+ Caco2+
DB07074 mol2, pdbqt 284,28 -4,192 377,399 2,601 7 4 0 -1,2972 0,16068276208121 BBB+ HIA- Caco2-
DB07075 mol2, pdbqt 302,21 -4,657 384,486 2,287 6 3 0 2,4245 0,662922996716433 BBB+ HIA+ Caco2-
DB07076 mol2, pdbqt 289,7 -5,325 373,455 3,8335 5 3 0 -0,68274 0,380168174757971 BBB+ HIA+ Caco2-
DB07077 mol2, pdbqt 181,02 0,137 235,05 -1,0794 6 4 0 -12,231 0,390420944368355 BBB+ HIA+ Caco2-
DB07078 mol2, pdbqt 251,38 -4,225 332,358 2,2857 5 3 0 3,0051 0,35993576319862 BBB+ HIA+ Caco2+
DB07079 mol2, pdbqt 224,8 -5,696 284,399 2,4231 3 0 0 -13,052 0,310164062165866 BBB+ HIA+ Caco2-
DB07080 mol2, pdbqt 290,8 -5,948 481,334 3,999 4 1 0 -23,162 0,215354102531217 BBB+ HIA+ Caco2-
Page 
 of 344
Records 4741 to 4760 of 6870
These data are only available for scientific research purposes.