General and Specific Compounds

general and specific compounds


  • Cazy, Carbohydrate-Active enZymes
    The CAZy database describes the families of structurally-related catalytic and carbohydrate-binding modules (or functional domains) of enzymes that degrade, modify, or create glycosidic bonds.
  • ChemDB
    Includes many different ways to search compounds
  • ChemSpider (ChemZoo)
    ChemSpider is a chemistry search engine built with the intention of aggregating and indexing chemical structures and their associated information into a single searchable repository and make it available to everybody, at no charge.
  • Generated Database of Chemical Universe of Small Molecules
    Contains every possible organic molecule of C, N, O, or F up to 11 atoms, taking into account chemical stability and synthetic feasibility; 26.4 million compounds.
  • Glycan Database
    Provides an independent way of accessing CFG data, as well as integrating a large amount of publicly-available information.
  • HIC-Up
    A resource for structural biologists who are dealing with hetero-compounds.
  • LipidBank
    LipidBank is a database of natural lipids including fatty acids, glycerolipids, sphingolipids, steroids, and various vitamins.
  • Metlin Metabolite Database
    The METLIN Metabolite Database is a repository for mass spectral metabolite data.
  • Metalloprotein Database and Browser
    Contains quantitative information on all the metal-containing sites available from structures in the PDB distribution.
  • Query Chem
    Draw or look up a compound.
  • Sustructure Search of SRC's Point File
    The file contains 18,620 chemicals accessible by substructure.
  • ZINC
    ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 4.6 million compounds in ready-to-dock, 3D formats.


    • Resources complied with special thanks to Indiana University's chemical informatics cyberinfrastructure collaboratory.