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ChemicaElectrica : Chemical Database

Product Description
  • Over 7400 molecules
  • Pharmaceuticals, pesticides, molecules of biological interest, solvents, surfactants, flavors and fragrances, amino acid library, dyes, industrial gasses and more. Updated in 2011 with all small molecules which received USAN adopted names between 2005 and May of 2011.
  • Text fields: Description of uses, trade names, manufacturers, molecular formula, SMILES notation.
  • Values from the literature: boiling point, melting point, water solubility, log of the octanol water partition coefficient (Log P), specific gravity, flash point and more (about 25 fields)
  • Calculated fields: over 100 fields calculated from structure. Includes most of the fields calculated by Molecular Modeling Pro.
  • Database was created and editied with Molecular Modeling Pro Plus and is fully compatible with MMP and MMP+. You can add, delete and edit molecules from ChemicaElectrica using MMP.
  • Database formats: (1) Microsoft ACCESS with structures in MDL Molfile, Brookhaven pdb and MACROMODEL formatsl (2) MDL SD File; (3) XML file with embedded MDL Molfiles in a field.
  • Includes a database Viewer. See a screen capture.
  • Viewer includes a periodic table with information about the elements.
  • Two additional databases -- Database 2: 162 sub-structural features, such as number of amide groups, number of aromatic carbons etc. Database 3: database containing 3-D distribution of mass and hydrogen bonding for >95% of the molecules.

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