Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Predicted and measured physicochemical properties of the candidates
logP logarithm of the octanol:water partition coefficient, logD6.8 logP at pH 6.8, obsd observed, pKa1 negative logarithm of the first dissociation constant, pKa2 negative logarithm of second dissociation constant, RMSE, root mean squared error, S+ denotes a proprietary model from Simulations Plus, Inc., Sw aqueous solubility
