Hi,

It's not LogD (with specific pH of buffer) but simply LogP analysis:

"iLOGP was benchmarked on two drug or drug-like external sets and performed equally as or better than six well-established predictors"

"iLOGP (for implicit log P) is an in-house physics-based methods relying on Gibbs free energy of solvation calculated by GB/SA in water and n-octanol. Generalized-born (GB) parameters are computed through the GBMV2 method68 and solvent-accessible surface area (SA) is the analytical approximation generated by CHARMM (version c36b1, 2011, https://www.charmm.org)69. The iLOGP implemented in SwissADME corresponds to Model9 of the seminal publication16, which was trained on 11,993 molecules (r= 0.72, MAE= 0.89, and RMSE= 1.14 against experimental log P)"

Article iLOGP: A Simple, Robust, and Efficient Description of n-Octa...

Article SwissADME: A free web tool to evaluate pharmacokinetics, dru...

Best regards,

Tomasz

Hi,

LogP and LogD (pH dependent) are two different parameters. This thread should be useful:

https://www.researchgate.net/post/What-is-logP-and-log-D-what-are-they-used-what-is-the-effect-of-PH-on-log-D

Best regards

Tomasz