LogP, a software tool for predicting the lipophilicity of compounds based on chemical structure, will now be available as an add-on to the free and commercial chemical drawing package, ChemSketch
Advanced Chemistry Development, (ACD/Labs) has announced the release of a new freeware offering, downloadable from the its website.
LogP, a software tool for predicting the lipophilicity of compounds based on their chemical structure, will now be available as an add-on to the free and commercially-available chemical drawing package, ChemSketch.
LogP, the octanol-water partition coefficient, is a constant which provides a measure of the lipophilic nature of compounds, and is based on the distribution of a particular compound between the two solvents.
Water/octanol partitioning is the most commonly used solvent system which provides an approximation of the partitioning of compounds between the lipid membranes of living cells, and cellular and extracellular fluids.
Applications of this property span many industries and areas of research:.
Drug discovery where the permeability of a therapeutic can be gauged.
Agrochemicals research in which it helps to understand and predict the distribution of a chemical between species.
Flavours and fragrances where the physical properties of a compound influence flavour perception and deposition of perfume.
The monitoring of pollutants in the environment.
"By including logP for free in the ChemSketch interface, we are continuing our tradition of supporting research and education.
"Chemists who may not otherwise have access to advanced tools can now benefit from them," said Greg Pearl, PhysChem product manager, ACD/Labs.
"Freeware is especially valuable to educators and students with limited resources.
"For example, during a lecture, an educator can interactively demonstrate how subtle changes to a molecule changes it physical properties - much more compelling than discussing a table of numerical results.
"It also gives students a chance to use the types of tools they will encounter in the workplace".
Current users of ChemSketch 10.0, freeware and commercial versions, can log on the ACD/Labs website to download the free add-on for LogP, while new users can register to download the freeware.
ChemSketch is the common interface for the full range of ACD/Labs products, and allows users to easily draw or import chemical structures.
ACD/Labs is known throughout the industry for the accuracy and reliability of our physicochemical property prediction software for solubility, pKa, and logD - the lipophilicity of compounds at a specific pH.
