Chemical database management software

  • Handles up-to 10,000,000 chemical records in one database
  • Windows compatible
  • Compares databases to find duplicates
  • Fast multiple database searching, sorting, comparison, merging
  • Supports common data formats SDF, MOL, JCAMP and others
  • Includes Structure Editor (a $900 value)
  • Diversity analysis
  • Multi-condition searches
  • Stores NMR, MS and IR spectra
  • Synthesis planning
  • SDF file analyzer, editor and viewer
  • Chemical Web Server software

Free Demo

ChemDBsoft Lite Version with Glossary of 20,000 Chemicals - many major program features with limited import/export number of records. It is suitable for small databases 1-500 structures. ChemDBsoft Light Version  allows chemists to use all program features before buying the full version.

For price information please contact us
Multiple license and educational discounts are available

ChemDBsoft Modules:


    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
Title Filter      Display #  
# Article Title
1 Additional Modules
2 Advanced Structure Search
3 ChemDBsoft Full
4 ChemDBsoft Lite
5 ChemDBsoft Search Faq
6 Chemical Glossary
7 Chemical Web Server
8 Diversity and similarity analysis
9 NMR, MASS, and IR spectra processing
10 Presentation Graphics
11 Routines for synthesis planning
12 Structure Editor
13 Structure Processing
14 Tautomer search