ChemDBsoft software

ChemDBsoft software is a collection of state-of-the-art chemistry applications made by scientists, and often quoted as very user-friendly, fast, productive, affordable and functional.

ChemAxon Software

ChemAxon is a leader in providing Java based chemical software development platforms for the biotechnology and pharmaceutical industries.

Platform, OS requirements Windows 95/98/2000/XP/Vista/W7 Win32, Unix, Linux, Java,
Free Software
Chemical Database Management
Chemical Database Web Server Software
  • JChem Base
Structure Drawing and Viewing
Predict/Calculate Physico-Chemical Properties: LogP, Solubility, Pk, ADMET, Bioactivity, Charges, Concentrations...
Diversity Analysis, Clustering
  • JKlustor
Software for HTS and combinatorial chemistry
Structure Processing
Spectra Management  


Databases, Reference, Glossaries  


Chemical Database Management System

Program Package MOLPRO

    pK Prediction
    Hydrogen bond thermodynamics. Calculation of local and molecular physicochemical descriptors
    Molecular diversity and similarity estimation
    Solubility, Lipophilicity & Permeability. Prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorbtion. LogP, LogD, LogSw, FA

Databases and References