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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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