“…The visual depiction illustrates the following: regions designated as hydrogen bond acceptors (HBA) are colored red, while non-polar areas are represented by green; hydrogen bond donor sites (HBD) are represented by blue. 89–92 The σ-profile, as used in COSMO-RS analysis, represents a probability distribution of surface area vs. charge density. 93–95 Graphically depicted, the σ-profile is commonly divided into three discrete regions: (1) the HBA region, which signifies positive charge densities; (2) the non-polar region, which signifies nearly neutral charge densities; and (3) the HBD region, which represents negative charge densities.…”