Main Title |
Structure-Activity Relationships and Pharmacokinetics: A Comparative Study of Hydrophobicity, Van der Waals' Volume and Topological Parameters. |
Author |
Basak, S. C. ;
Gieschen, D. P. ;
Magnuson, V. R. ;
Harriss, D. K. ;
|
CORP Author |
Minnesota Univ.-Duluth.;Environmental Research Lab.-Duluth, MN. |
Year Published |
1982 |
Report Number |
EPA-R-807566; EPA-600/J-82-393; |
Stock Number |
PB84-110642 |
Additional Subjects |
Molecular structure ;
Van der Waals equation ;
Topology ;
Pharmacology ;
Drugs ;
Transport properties ;
Metabolism ;
Anesthesia ;
Reprints ;
Pharmacokinetics ;
Hydrophobicity ;
Numerical solution
|
Holdings |
Library |
Call Number |
Additional Info |
Location |
Last Modified |
Checkout Status |
NTIS |
PB84-110642 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
Collation |
5p |
Abstract |
While log P appears to be the sole determinant of log T, some theoretical studies indicate that there is a definite 'steric basis of hydrophobicity' because the dominant source of energy for hydrophobic interactions of solute in water depends on molecular shape and size. Moreover, some recent studies, where log P is highly correlated with V(w) and topological indices, provide further evidence for the geometrical/topological basis of hydrophobic behavior. This may be the reasons for the excellent correlation of log T with V(w) and other topological steric parameters. The dependence of lipophilicity of the barbiturates upon molecular shape and size is evident from the correlation of log P. |