Polar Surface Area

webinar · 10 years ago

Polar Surface Area


Polar surface area (PSA) is formed by polar atoms of a molecule. It is a descriptor that shows good correlation with passive molecular transport through membranes, and so allows estimation of transport properties of drugs.

The calculation provides results which are practically identical with the 3D PSA, while calculation time is approximately 100-times faster. This calculation is more suitable for fast bioavailability screening of large virtual libraries.