Predict the Distribution Coefficient from Structure
ACD/LogD predicts the octanol-water distribution coefficient (or apparent partition coefficient) from a structure.
Use ACD/LogD to:
- Calculate distribution coefficient values (logD) for all compound species of organic molecules at various pH
- View logD results at physiologically relevant pH values or discrete pH values of interest
- Train the algorithm with experimental measurements of logP and pKa
Everything You Need in a LogD Property Calculator
Fast, Accurate & Reliable
- Industry-standard calculators for pKa and logP provide a foundation for accurate logD calculation
- Evaluate the accuracy of results with the provided information—reliability index, five most similar structures in the database, and literature references for the original experimental data
- Understand the behavior of your molecule with the automatically generated plot of logD versus pH
- Create scatter plots, browse, filter, sort, rank, and prioritize compounds with ease
- Get several logD values by changing the combination of logP and pKa prediction algorithms to predict logD. Choose from three logP algorithms (Classic, GALAS, and Consensus), and two pKa algorithms (Classic and GALAS).
Customizable with In-House Data
- Get the accuracy of an in-house model from a commercial product. Use experimentally measured logP and pKa values to expand the applicability domain to proprietary chemical space.
- Build a training set per project for fine-tuned accuracy
- 1 Draw/import your structure
- 2 Review results and make decisions
- 3 Report to PDF or copy/paste
Choose the Deployment Option That Works for You
Install ACD/LogD on individual computers to access the thick client, which provides a full graphical user interface and access to algorithm training tools.
Calculate logD for tens of thousands of compounds with minimal user intervention. Batch deployment is compatible with Microsoft Windows and Linux. Plug-in to corporate intranets or workflow tools such as Pipeline Pilot.
Percepta Portal/Thin Client
Use a browser-based application to predict logD. KNIME integration components are available. Host on your corporate intranet or the cloud. Available for Linux and Windows.