• Drug Bank
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 of 344
Records 5161 to 5180 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
DB07497 mol2, pdbqt 170,5 -2,669 228,315 0,7423 4 2 0 -9,9677 0,100606467660399 BBB+ HIA+ Caco2-
DB07498 mol2, pdbqt 209,28 -3,497 277,235 0,9491 8 1 0 -8,3185 0,436174471247502 BBB+ HIA+ Caco2-
DB07499 mol2, pdbqt 246,96 -0,707 324,432 0,0531 7 4 0 3,5679 0,923250053889359 BBB+ HIA+ Caco2-
DB07500 mol2, pdbqt 275,22 -4,205 338,402 4,5649 4 2 0 -0,26787 0,273453422056691 BBB- HIA+ Caco2+
DB07501 mol2, pdbqt 323,04 -4,71 458,359 3,6657 7 3 0 2,126 0,540702714750311 BBB- HIA+ Caco2+
DB07502 mol2, pdbqt 193,75 -3,938 322,114 2,8251 5 3 0 -1,1272 0,487499151747149 BBB+ HIA+ Caco2-
DB07503 mol2, pdbqt 178,53 -3,961 285,226 3,2632 5 1 0 -1,0291 0,490052608751406 BBB+ HIA+ Caco2-
DB07504 mol2, pdbqt 323,04 -4,71 458,359 3,6657 7 3 0 2,126 0,540702714750311 BBB- HIA+ Caco2+
DB07505 mol2, pdbqt 324,44 -2,92 416,584 3,2467 5 1 0 -16,854 0,378605742780848 BBB+ HIA+ Caco2-
DB07506 mol2, pdbqt 161,48 -1,769 208,212 0,9936 4 2 0 -0,89809 0,617640924955223 BBB+ HIA+ Caco2-
DB07507 mol2, pdbqt 243,69 -5,604 329,354 4,1462 4 1 0 1,3475 0,292076071967907 BBB+ HIA+ Caco2+
DB07508 mol2, pdbqt 310,23 -3,087 419,508 2,0848 7 3 0 -4,9932 0,237377027630099 BBB+ HIA+ Caco2-
DB07509 mol2, pdbqt 330,31 -6,879 404,307 4,8619 4 1 0 -23,943 0,191070723501072 BBB+ HIA+ Caco2-
DB07510 mol2, pdbqt 183,58 -3,157 254,188 2,0362 4 2 0 -0,24646 0,637471049505447 BBB+ HIA+ Caco2-
DB07511 mol2, pdbqt 199,29 -4,587 262,267 2,6683 4 0 0 -2,9249 0,234751303279694 BBB+ HIA+ Caco2+
DB07512 mol2, pdbqt 230,7 -3,884 314,723 2,3907 4 0 0 -4,9924 0,145919742120187 BBB+ HIA+ Caco2+
DB07513 mol2, pdbqt 248,64 -3,661 329,782 2,5567 4 1 0 -0,62317 0,32821168537323 BBB+ HIA+ Caco2+
DB07514 mol2, pdbqt 296,54 -5,577 397,481 2,6513 6 2 0 2,4473 0,553703941353697 BBB+ HIA+ Caco2-
DB07515 mol2, pdbqt 335,6 -2,177 457,955 -0,1734 8 5 0 -0,42978 0,548451167540441 BBB- HIA+ Caco2-
DB07516 mol2, pdbqt 186,3 -3,021 252,652 1,8626 4 2 0 1,2607 0,798190666074324 BBB+ HIA+ Caco2-
Page 
 of 344
Records 5161 to 5180 of 6870
These data are only available for scientific research purposes.