ACD/LogP DB calculates the octanol-water partition coefficient (P) for a wide range of neutral chemical compounds. It also provides calculation of Lipinski's Rule-of-5 parameters; polar surface area...read more
ACD/LogP DB calculates the octanol-water partition coefficient (P) for a wide range of neutral chemical compounds. It also provides calculation of Lipinski's Rule-of-5 parameters; polar surface area, freely rotatable bonds, and other related molecular properties.
The logP calculation is based on an algorithm that uses experimental logP data from an internal training set of over 25,000 compounds. The internal reference database provided contains over 18,400 compounds and can be used to search for experimental logP data collected from a variety of reliable sources. The database covers a diverse range of chemical classes, and provides references to the original research.
Prediction accuracy can be further improved for novel or rare chemical classes through algorithm training with in-house experimental data.
ACD/LogP Batch—predict logP values for thousands of compounds at one time with minimal operator intervention.
Write a review
Sharing your experience will help scientists like you. Achieve Reviewer Status and Win an iPad air (All reviews published will be entered into the next drawing on May 30th 2014).
Why make an enquiry with SelectScience?
EASY It’s quick and simple to do
FAST Your enquiry will be delivered straight to the manufacturer
FREE You’re under no obligation
SECURE We only pass your details on to trusted suppliers at your request
SAVE TIME Submit your details once and make multiple enquiries