Structure analysis
60+ descriptors, drug-likeness filters, PAINS alerts, synthetic accessibility, Tanimoto similarity.
Compound triage, ADMET prediction, structure-based docking, SAR analysis, electronic lab notebook, and reporting — together in a single browser tab.
60+ descriptors, drug-likeness filters, PAINS alerts, synthetic accessibility, Tanimoto similarity.
41 endpoints across Absorption, Distribution, Metabolism, Excretion, Toxicity, and Tox21. Bulk-predict and cached.
Shared projects with bulk SMILES import, multi-column assays, parent–child lineage, and Matched Molecular Pair detection.
Pair, series, cluster, family, and visualize modes. MCS, R-group decomposition, Butina clustering.
Conformer generation, stick / ball / VDW / wire / ribbon styles, plus logP, MEP, and H-bond surfaces.
Auto-detected box, binding-pocket detection, ligand prep, shape-Tanimoto scoring, pharmacophore alignment.
Search ChEMBL bioactivity, browse target classes, and import literature comparators directly.
Reactions, conditions, yields, and lineage captured inline. Versioned entries, full audit trail.
One click generates per-compound or project-wide PDF monographs — bulk-export hundreds at a time, with descriptor tables, ADMET, figures, and references included.
Share projects with role-based access, comment threads anchored to compounds, real-time presence, and shared reports — chemistry, DMPK, and computational on the same view.
Run analyses on shared datasets together — bulk ADMET on a teammate's import, queue bulk reports, and notify the team when jobs finish.
Most chemistry software still feels like 2008 — desktop installers, license keys, per-seat plugins, and reports built by hand from screenshots. We built ChemSynth around how chemists actually work: bulk over single, table over modal, structure over jargon, exportable over screenshotted.
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