Biorelevant pKa (37 °C) predicted from the 2D structure of the molecule and its pKa at 25°C
- Author
- SUN, Na1 ; AVDEEF, Alex1
[1] PION INC, 5 Constitution Way, Woburn, MA 01801, United States - Source
Journal of pharmaceutical and biomedical analysis. 2011, Vol 56, Num 2, pp 173-182, 10 p ; ref : 64 ref
- CODEN
- JPBADA
- ISSN
- 0731-7085
- Scientific domain
- Medical laboratory techniques; Pharmacology drugs
- Publisher
- Elsevier, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Author keyword
- Abraham's descriptors Biorelevant media Ionization constant Linear free energy relationships pKa
- Keyword (fr)
- Constante dissociation Constante ionisation Prédiction Solvatation
- Keyword (en)
- Dissociation constant Ionization constant Prediction Solvation
- Keyword (es)
- Constante disociación Constante ionización Predicción Solvatación
- Classification
- Pascal
- 002 Biological and medical sciences / 002A Fundamental and applied biological sciences. Psychology / 002A02 Analytical, structural and metabolic biochemistry
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02A General pharmacology / 002B02A02 Analysis
- Discipline
- Analytical, structural and metabolic biochemistry General pharmacology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 24363104
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/j.jpba.2011.05.007 
https://dx.doi.org/10.1016/j.jpba.2011.05.007
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