ChemBrain IXL - Graphical Representations of a Molecule, more than just looking good

ChemBrain offers you a series of space-filling representations of a molecule (see screenshots): sticks, sticks and balls, string of balls, and transparent or opaque VdW-surface views, optionally showing the local electrostatic potential.

Beyond these, you may also like to have the polar surface area (PSA) or the solvent-accessible surface area (SASA) shown, the values of which are usually calculated on input of the molecule into the database and shown in the molecule datasheet. In addition, for molecules with double, triple or aromatic bonds ChemBrain also visualizes the reaction-selectivity indices "frontier-electron density distribution" and "virtual frontier-electron density distribution", which are very reliable indicators for the prediction of the primary position of attack of electrophiles and nucleophiles, respectively, on the molecule.

The space-filling views may be further modified, e. g. enabling the alteration of the pixel resolution, brightness, sticks thickness, balls radius, in/exclusion of the hydrogen atoms, colour gradient or the solvent radius.

It goes without saying that, like in any other graphical blackboard in ChemBrain, these representations are manually freely rotatable; in the present case, you even have the option to animate the representations.

Finally, you may copy the representations into the clipboard for further use in external programs, optionally on a white background and/or with the molecule name written on top of the graphics.