ACD/PhysChem Suite
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Quickly and accurately
predict the full array
of physicochemical
properties of your compounds |
ACD/PhysChem Suite provides a full array of tools for the prediction of the physicochemical properties within one software interface, at the click of a button. Featuring unsurpassed prediction accuracy, covering a good breadth of chemical space, ACD/PhysChem Suite is used by pharmaceutical and research-focused chemical companies worldwide to give chemists instant insight into the properties of their candidate compounds.
| logD (pH-dependent measure of lipophilicity) and logP |
Lipophilicity is a significant physicochemical property used in numerous areas of chemistry, medicine, pharmacology, and environmental science. It is an important indicator of transport and permeation through membranes, interaction with biological receptors and enzymes, toxicity, and biological potency. |
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| pKa The acid-base ionization constant |
The acid-base ionization/dissociation constant, pKa, is a measure of the tendency of a molecule or ion to keep a proton (H+) at its ionization center(s), and is related to the ionization ability of chemical species. pKa, defines many aspects of chemical and biological behavior of electrolytes. |
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| Aqueous Solubility for electrolytes and non-electrolytes at any pH |
Aqueous solubility has become increasingly important for studies of oral absorption of pharmaceuticals and of the toxicity of chemical compounds. |
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| Boiling Point |
Predict the vapor pressure of an organic compound as a function of temperature, boiling point temperature or pressure. Also, estimate boiling point at atmospheric pressure, enthalpy of vaporization at the boiling point, and flash point. |
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| Predict an array of Molecular Properties |
Including polar surface area, number of freely rotatable bonds, pH profiles of bioconcentration factor (BCF), adsorption coefficient (Koc), and "Rule-of-5" properties. |
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| Secondary Prediction Models |
As a result of the merger between ACD/Labs and Pharma Algorithms we can now also offer alternative models for the prediction of logP, logD, pKa, aqueous solubility, and a variety of molecular properties. |
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