ACD/Sigma allows you to quickly calculate the electronic substituent constant, σ, calculated for selected fragments of your molecule or the substituents of your library. View the contribution made by each fragment in the substituent toward the entire predicted value. This permits you to make an in-depth analysis of steric effects, the hydrophobic constant (the π constant of Hansch, enabled in conjunction with ACD/LogP DB calculations), and related phenomena of the various substituents in your molecule of interest.
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ACD/Sigma Batch—predict Sigma values for thousands of compounds at one time with minimal operator intervention.
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