Electrostatics of heterocyclic rings and the Topliss tree

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Shape and charge distribution are two of the most important constituents of molecular interactions. This new illustrated sheet features 26 common heterocyclic rings, illustrating their 2D structure next to their 3D charge distribution pattern.


Electrostatics of the Topliss tree: Visualize and get new insight to the deep changes in electrostatic and hydrophobic properties introduced by the substitution patterns recommended by the Topliss tree.