Calculator Plugins User's Guide

    You can find the User's Guide pages of each calculator plugin grouped below.

    Physico-chemical plugins

    pKa Plugin

    Major Microspecies Plugin

    Isoelectric Point Plugin

    log P Plugin

    log D Plugin

    Tautomer Generation Plugin

    Stereoisomer Generator Plugin

    Stereo Analysis - calculating stereo descriptors

    NMR Predictor

    Solubility Predictor

    HLB Predictor

    Molecular modeling plugins

    Charge Plugin

    Orbital Electronegativity Plugin

    Polarizability Plugin

    Conformer Plugin

    3D Alignment Plugin

    Molecular Dynamics Plugin

    Structural property plugins

    Topological Analysis Plugin

    Geometrical Descriptors Plugin

    Polar Surface Area Plugin 2D

    Molecular Surface Area Plugin 3D

    Elemental Analysis Plugin

    Structural Frameworks Plugin

    Hydrogen Bond Donor Acceptor Plugin

    Hückel Analysis Plugin

    Refractivity Plugin

    Resonance Plugin

    Markush Enumerator Plugin

    Other manual pages related to the plugins

    Training the Calculator Plugins

    cxcalc command line tool

    Background materials