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ACD/Labs Blog

Sanji Bhal
Copilot said: Many small molecules in pharmaceutical and biopharmaceutical research are ionizable, making ionization a critical factor throughout drug discovery and development. Understanding pKa values helps scientists predict charge states, optimize screening and lead candidates, improve formulation strategies, and support decisions related to solubility, ADME/Tox properties, chromatography, and synthetic chemistry.

ACDLabs
Several organic molecules of low molecular weight (<150 Da) are demonstrated to have substantial membrane-lytic potential despite having a low predicted lipophilicity (logD < 1 at neutral pH). In aqueous liposome dispersions, 38 aromatic compounds were tested for their ability to either promote lipid hydrolysis or directly participate in chemical reactions with lipid molecules. Behaviors observed...

ACDLabs
Knowledge about the release behavior and drug retention properties of colloidal carriers is of essential importance for quality control as well as to predict in vivo performance. When conducting release studies from such systems, the release media should preferentially contain lipophilic acceptor components in order to mimic physiological conditions. In this study, transfer from a...

Sherry Myles
pKa (the acid dissociation constant) describes the inherent property of a compound or ionizable functional group to lose H+ and generate hydronium ions (H3O+). pH measures the concentration of hydronium ions (H3O+) in aqueous solution. Read more about pKa.

Sherry Myles
A recently published study comparing pKa prediction tools found ACD/pKa to be the best based on several criteria. Toronto, Canada (March 11, 2007)—Researchers at Pardubice University in the Czech Republic published a study in the December 2007 issue of Analytical and Bioanalytical Chemistry evaluating the accuracy and predictive power of four pKa prediction software tools...