REAL database
The largest enumerated database of synthetically feasible molecules
REAL database is one of the ways to explore the REAL space. It is a classical database of enumerated structures. The database is a tool to find new hit molecules using large-scale virtual screening and for searching analogs to your hit molecules. The REAL database is accessible as SMILES, SDF, and is searchable on Enaminestore.
The current release of the REAL database comprises over 700 million compounds that comply with “rule of 5” and Verber criteria: MW≤500, SlogP≤5, HBA≤10, HBD≤5, rotatable bonds≤10, and TPSA≤140.
- REAL database, 720M cpds, SMILES, part 1
- REAL database, 720M cpds, SMILES, part 2
- REAL database, 720M cpds, SMILES, part 3
- REAL database, 720M cpds, SMILES, part 4
- REAL database, 720M cpds, SMILES, part 5
- REAL database, 720M cpds, SMILES, part 6
- REAL database, 720M cpds, SMILES, part 7
- REAL database, 720M cpds, SMILES, part 8
- REAL database, 720M cpds, SMILES, part 9
- REAL database, 720M cpds, SMILES, part 10
- REAL database, 720M cpds, SMILES, part 11
- REAL database, 720M cpds, SMILES, part 12
The database allows you to link the end structures with the corresponding building blocks. Besides mining the entire REAL database, you can conveniently prepare its subset for further virtual screening by selecting first the preferred building blocks and then extract their derivatives in REAL database.
Premium REAL database
In addition to the REAL database, we prepared Premium REAL database where we included derivatives of new unique and expensive building blocks recently synthesized by our chemists. We use this database as a basis for Enamine Premium screening compound collection.
The Premium REAL compounds comply with “rule of 5” and Verber criteria and lack toxic substances and PAINS.
The Premium REAL database is available upon request.