| 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. |
| Availability Notes |
Pub. in International Research Communication Series, Medical Science 10, p619-620 1982. |
| NTIS Title Notes |
Journal version. |
| Title Annotations |
Reprint: Structure-Activity Relationships and Pharmacokinetics: A Comparative Study of Hydrophobicity, Van der Waals' Volume and Topological Parameters. |
| PUB Date Free Form |
c1982 |
| Category Codes |
6O; 7D; 6E; 99F; 57Q; 57D |
| NTIS Prices |
Not available NTIS |
| Primary Description |
600/03 |
| Document Type |
NT |
| Cataloging Source |
NTIS/MT |
| Control Number |
402047450 |
| Origin |
NTIS |
| Type |
CAT |
