Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives

[Image: see text] As weak acids or bases, in solution, drug molecules are in either their ionized or nonionized states. A high degree of ionization is essential for good water solubility of a drug molecule and is required for drug–receptor interactions, whereas the nonionized form improves a drug’s...

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Detalles Bibliográficos
Autores principales: Arslan, Evrim, Haslak, Zeynep Pinar, Monard, Gérald, Dogan, Ilknur, Aviyente, Viktorya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10207282/
https://www.ncbi.nlm.nih.gov/pubmed/37126823
http://dx.doi.org/10.1021/acs.jcim.2c01468

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10207282/
https://www.ncbi.nlm.nih.gov/pubmed/37126823
http://dx.doi.org/10.1021/acs.jcim.2c01468

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