Physical Properties!Pro^TM

The analyst simply draws the structure using the built in 3-D editor and the programs will calculate the selected properties. Included in these programs are a minimizer and conformational analysis tool for obtaining optimized structures. Structure drawings can be printed or copied to the clipboard and pasted to other applications. The programs can import and export MDL Molfiles, MacroModel files and MOPAC files. Brookhaven pdb files can be imported.(Requires Windows 3.1, 95, 98 or NT)

• Bulk Properties including molecular weight, van der Waals volume, surface area, molar volume, density, and molecular length, width and depth.
• Boiling point, vapor pressure and parachor.
• Dipole moment and partial charges: 3 Methods:
• MOPAC (WIN 95 or NT only)
• CNDO
• modified DelRe
• HLB (hydrophilic-lipophilic balance), hydrophilic surface area and % hydrophilic surface area
• Log Kow (log P) 3 methods - fragment addition, atom based and a new method based on calculation from CNDO partial charges; also includes an atom based method for molar refractivity (MR)
• Randic connectivity indices, valence indices, Kier's Kappa shape index 2, Wiener number
• Solubility parameter, and the 3-D solubility parameters: methods;
• dispersion
• polarity
• hydrogen bonding
• Sterimol parameters L1, B1, B5 and modified B2, B3, B6 and B7
• Water solubility and mean hydration number
• Special Offer All Nine Physical Properties!Pro programs in one program!