Rowan helps medicinal chemistry teams iterate faster. Explore ideas, predict properties, build chemical intuition, and prioritize compounds before synthesis.
From design review to synthesis to assay results, Rowan helps teams ask better questions earlier like:
Predict ligand properties such as pKa, tautomer populations, and other key design parameters using Rowan's physics- and ML-powered workflows.
Predict solvent-dependent conformer ensembles and torsional profiles to understand how structural changes affect 3D shape, polarity, and intramolecular interactions.
Study protein–ligand binding modes with Rowan's docking and co-folding workflows—and analyze individual contacts with interaction-energy decomposition tools.
Use high-speed RBFE calculations to prioritize analogs, estimate potency shifts, and support selectivity optimization.
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Predict membrane permeability, aqueous solubility, and blood–brain barrier penetrance to help prioritize compounds earlier.
Evaluate warhead reactivity with Fukui indices, transition-state modeling, and reaction-path analysis.
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Analyze protein structures, conformer ensembles, and MD trajectories with publication-quality visuals right in your browser—and securely share with your team.
Data is protected with industry-standard security practices, including optional deployment into your virtual private cloud.
Learn more →Hear what scientists have to say.
Rowan makes it easy for us to run reliable computational workflows without building or maintaining our own compute infrastructure. This helps us move faster across Curie's portfolio companies while keeping the focus on advancing the pipeline. The new solvent-dependent conformer workflow is an exciting, impactful addition.
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