Parameterization of the hydration free energy computations for organic solutes in the framework of the implicit solvent model with the nonuniform dielectric function

► Parametrization of Smooth Boundary Continuum Model (SBCM) for water as solvent. ► Decomposition ΔGsolv of on polar, nonpolar and hydrophobic components. ► The comparison of calculated and experimental ΔGsolv (RMSD equal to 0.76).