XDrawChem explained

XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL. In Microsoft Windows this program is called WinDrawChem.^[1]

Major features

• Fixed length and fixed angle drawing
• Automatic alignment of figures
• Detection of structures, text, and arrows, and their automatic placement
• Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library
• Retrieval of structures from a network database based on CAS number, formula, or name
• Retrieval of information on a molecule based on a drawing
• Symbols such as partial charge and radicals
• Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw binary format, ChemDraw XML text format^[2]
• Writing MDL Molfiles, CML, ChemDraw XML text format
• Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats.
• Image export in Portable Network Graphics (PNG), Windows bitmap, Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG)
• 3D structure generation with the help of the external program BUILD3D
• Simple spectra predictions, including ¹³C-NMR, ¹H-NMR (based on additive rules and functional group lookup methods), and IR^[3]
• Simple property estimation, including pK_a, octanol-water partition coefficient, and gas-phase enthalpy change.

External links

• XDrawChem at SourceForge

Notes and References

1. Gupta . Monika . Ict Tools for Teaching and Research in Chemistry . International Research Journal of Modernization in Engineering Technology and Science . 2023 . 5 . 1 . 10.56726/IRJMETS32852.
2. Review of bioinformatic tools used in Computer Aided Drug Design (CADD) . World Journal of Advanced Research and Reviews . 30 May 2022 . 14 . 2 . 453–465 . 10.30574/wjarr.2022.14.2.0394. free . Namitha k n . v Velmurugan .
3. Winkler . David . Free software for chemistry . Chemistry in Australia . 2017-09-01 . 24–27 .