Chemspace CNS-Focused Library
The basic requirements for the compounds that are supposed to penetrate the blood-brain barrier are somewhat different from those for the majority of drug discovery projects. Alongside the known problem with delivery of the large and non-polar compounds and their penetrability through the cell membrane, the other issue arises as well: small and polar compounds are not able to pass the Blood-Brain Barrier. Chemspace CNS-focused library comprises quite small, non-polar compounds that are also free from PAINS/toxic fragments and aggregators.
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• A unique collection of 13,082 highly CNS-like diverse molecules.
• All compounds accord with the following physchem limitations: MW ≤ 450, SlogP ≤ 5, HBD count ≤ 4, HBA count ≤ 8, RB count ≤ 8, H-bond count ≤ 8, pKa 6.5-10.5, neutral or basic compounds, TPSA 40-100 Å2.
• Databases and compounds are provided by Chemspace.