Physon.Molecular · workbench

Conformer workbench

Paste SMILES → generate → rank → download. Docking-ready output in one place.

Get a free API key to start. 20 conformer generations/day.

SMILES

Rule-of-5

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N conformers

RMSD threshold (Å)

Seed (optional)

Cluster + rank (F6)Prepare states (F1)

How to use the workbench

Paste a SMILES above, or pick a preset chip. Rule-of-5 badges update automatically.
Cluster + rank (on by default) — returns conformer families instead of raw duplicates. Sort the table by energy or family size.
Prepare states — enumerate tautomers + physiological-pH charge states before generating.
Navigate 3D — use ‹ › or the ← → keys after generating. Row clicks jump to that conformer.
Copy Python reproduces the exact call from the button above.