logD


logD

Overview

Compounds having ionizable groups exist in solution as a mixture of different ionic forms. The ionization of those groups and so the ratio of the ionic forms depends on the pH. Since logP describes the hydrophobicity of one form only, the apparent logP value can be different. The octanol-water distribution coefficient, logD represents the compounds at any pH value.

Learn more about how the plugin calculates logD.

This project was partially funded by the Hungarian National Office for Research and Technology under the contract number OMFB-00007/2006.


Related Library items

SAR Analyzer - intuitive access to SAR information Presentation

In an endeavor to create an interactive SAR analysis platform at Roche, we aim at providing a portfolio of data analysis techniques that facilitate the navigation of complex data landscap…

The Evolution of the Broad Chemical Biology Informatics Platform Presentation

The Chemical Biology Platform within the Broad Institute screens both the Molecular Libraries Small Molecule Repository (MLSMR) and a unique compound collection synthesized internally thr…
September 2011 Author: ()

Perspiration, Inspiration, and Happenstance in Scientific Discoveries Presentation

This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inve…
May 2011 Author: ()