Model Solvent Systems for QSAR Part I. Propylene Glycol Dipelargonate (PGDP). A new Standard Solvent for use in Partition Coefficient Determination
作者:
David E. Leahy,
Peter J. Taylor,
Alan R. Wait,
期刊:
Quantitative Structure‐Activity Relationships
(WILEY Available online 1989)
卷期:
Volume 8,
issue 1
页码: 17-31
ISSN:0931-8771
年代: 1989
DOI:10.1002/qsar.19890080104
出版商: WILEY‐VCH Verlag
关键词: Partitioning;octanol;PGDP;fragment values
数据来源: WILEY
摘要:
AbstractData for 216 partition coefficients in propylene glycol dipelargonate (PGDP) are given, along with 80 derived fragment values and a scheme for calculating the p.e. 2 correction from which many more logPvalues can be derived. PGDP logPandf‐values are contrasted with those of octanol and discussed in terms of the differing balance of proton donor/acceptor properties which these solvents show. It is suggested that PGDP, in conjunction with octanol, can be used as a model solvent probe for membrane binding and transport characteristics in ways that may have special relevance to biological selectivit
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