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 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 modifications applied include the redefinition of selected atom types (especially 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 the method for predicting pKa *For more details, please refer to the PDF document or feel free to contact us.
- Company：パトコア
- Price：Other
