ChemDBsoft

• Handles up-to 10,000,000 chemical records in one database
• Windows 95/98/NT/2000/XP/Vista/Win7 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:

• ChemDBsoft Standard Version with Glossary of 20,000 Chemicals and Routines for synthesis planning*- all main module features without limits. Databases of up-to 10,000,000 structures. This program is required for all modules listed below.

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• NMR, MASS, and IR spectra processing*

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• Diversity*

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• Structure processing*, Multi-condition search*, Tautomer Search

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• Drug-Like Properties Calculation

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• Barcode Module

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• Combinatorial Chemistry

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• Interface with SQL servers - Oracle, MS SQL, Interbase*

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• Web server extension*

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* (ChemDBsoft Standard Version is required)

MOLPRO

• DISCON
  pK Prediction

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• HYBOT-PLUS
  Hydrogen bond thermodynamics. Calculation of local and molecular physicochemical descriptors

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• MOLDIVS
  Molecular diversity and similarity estimation

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• SLIPPER
  Solubility, Lipophilicity & Permeability. Prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorbtion. LogP, LogD, LogSw, FA

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