LogP prediction, LogD prediction 'Partitioning'
Predictions will be made based on the improved methods of Viswanadhan for both logP and logD!
The "Partitioning Group" can predict the pH-dependent logD value in addition to the water/octanol partition coefficient. Predictions are based on the improved methods of Viswanadhan et al. for both logP and logD. The modifications applied include the redefinition of selected atom types (particularly sulfur, carbon, nitrogen, and metal atoms) to adjust for electronic delocalization and consideration of ionization forms. 【Features】 ■ Predicts pH-dependent logD values in addition to the water/octanol partition coefficient ■ Predictions are based on the improved methods of Viswanadhan et al. for both logP and logD ■ The logP value of zwitterions is calculated from logD at the isoelectric point ■ Just as logD values are pH-dependent, logD calculations rely on methods for predicting pKa *For more details, please refer to the PDF document or feel free to contact us.
basic information
【Usage Types】 ■ As a plugin for Marvin Sketch ■ As a cxcalc command-line tool ■ As a feature of Chemical Terms ■ Utilized in custom applications using various APIs such as Java, .NET, and Microservices *For more details, please refer to the PDF document or feel free to contact us.
Price range
Delivery Time
Model number/Brand name
ChemAxon Partitioning: Partitioning
Applications/Examples of results
【Usage】 ■Prediction of logP, prediction of log, calculation of HLB (Hydrophilic Lipophilic Balance) 【Usage Forms】 ■As a plugin for Marvin Sketch ■As a cxcalc command line tool ■As a feature of Chemical Terms ■Utilized in custom applications using various APIs such as Java, .NET, Microservice, etc. *For more details, please refer to the PDF materials or feel free to contact us.
