Free Services

Calculation of molecular physicochemical properties relevant to drug design and QSAR, including logP, molecular polar surface area (PSA), and the Rule of 5 descriptors.
More information about the calculated parameters and property calculation FAQ.

Calculation of activity score and drug-likeness for GPCR ligands, ion channel modulators and kinase inhibitors (interactive virtual screening), choose the [Predict Bioactivity] option.
More information about calculation of bioactivity scores and virtual screening.

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