Beyond the Flatland Library sp3 enriched
ChemDiv’s Beyond the Flatland Library contains 87,621 compounds.
“Escape from Flatland” – New Approach for Scaffold & Library Design. Fsp3 = number of sp3-hybridized carbons/ total carbon count.
The increase of scaffold/molecule saturation leads to:
• More diverse set of compounds
• More highly complex molecules
• Natural product-likeness
• Access to greater chemical space
• Better complement to the spatial subtleties of target proteins
• 3D-dimensionality may result in greater selectivity
• Higher water solubility
• Better phys-chemical parameters (logP and PSA)
• Very low increase of MW
• New stereo-centers
As result: Faster transition of compound from discovery to drugs.
“Escape from Flatland” – New Approach for Scaffold & Library Design. Fsp3 = number of sp3-hybridized carbons/ total carbon count.
The increase of scaffold/molecule saturation leads to:
• More diverse set of compounds
• More highly complex molecules
• Natural product-likeness
• Access to greater chemical space
• Better complement to the spatial subtleties of target proteins
• 3D-dimensionality may result in greater selectivity
• Higher water solubility
• Better phys-chemical parameters (logP and PSA)
• Very low increase of MW
• New stereo-centers
As result: Faster transition of compound from discovery to drugs.