Overview

Hydrogen Bond Donor-Acceptor (HBDA) calculates atomic hydrogen bond donor and acceptor inclination. HDBA is a useful characteristic in defining ´drug likeness´.

Atomic data and overall hydrogen bond donor and acceptor multiplicity are displayed for the input molecule (or its physiological microspecies at a given pH). The weighted average hydrogen bond donor and acceptor multiplicities, taken over all microspecies, with proportions of their presence, are presented over pH’s and charted.