ZINC15
A useful database of virtual molecules
which can also be organized by vendors. We use this
database in conjunction with others to build our virtual
libraries.
SDBS
The Spectra Database for Organic
Compounds. An excellent resource to find spectra for
organic molecules.
NMRDB.org
Free NMR prediction program. Can
simulate both 1H and 13C NMR.
Bordwell
pKa Tables
Contains extensive pKa values for organic
molecules in DMSO. Organized by functional groups.
Named
Organic Reactions
A useful page found on the Organic
Chemistry Portal. Contains mechanisms and references for
most named reactions.
Protein
Database (PDB)
A repository for crystal structures of more
than 100,000 proteins.