Biorelevant pK a (37°C) predicted from the 2D structure of the molecule and its pK a at 25°C

Journal of Pharmaceutical and Biomedical Analysis

Volumn 56, Issue 2, 2011, Pages 173-182

  Sun, Na ^a   Avdeef, Alex ^a  

^a ION INC   (United States)

Author keywords

Abraham's descriptors; Biorelevant media; Ionization constant; Linear free energy relationships; PK a

Indexed keywords

ACID; AMPHOLYTE; BASE;

ARTICLE; CHEMICAL STRUCTURE; ENTROPY; IONIZATION; MOLECULE; PKA; PRIORITY JOURNAL; SOLVATION; TEMPERATURE; VALIDATION PROCESS;

ENTROPY; HYDROGEN-ION CONCENTRATION; LINEAR MODELS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OSMOLAR CONCENTRATION; PHARMACEUTICAL PREPARATIONS; REPRODUCIBILITY OF RESULTS; SOLVENTS; STRUCTURE-ACTIVITY RELATIONSHIP; TEMPERATURE;

EID: 79960033800     PISSN: 07317085     EISSN: 1873264X     Source Type: Journal    
DOI: 10.1016/j.jpba.2011.05.007     Document Type: Article

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