Wetcher

Overview

Wetcher is the ChemistryAtlas structure drawing surface built around the EPAM Ketcher editor. Use it when you want to draw a molecule or reaction once, export the structure as SMILES or molfile text, and reuse that chemistry input in downstream calculators, property panels, lookup tools, reaction apps, and visualization workflows.

When To Use It

• Draw a molecule from scratch when a name, CAS number, or SMILES is not convenient.
• Clean up a hand-entered structure before sending it to a property, safety, spectra, or synthesis app.
• Sketch a reaction scheme and export a reusable structure representation for follow-up tools.
• Prepare a structure handoff record for notebook entries, support questions, or shared ChemistryAtlas workflows.

Inputs

• text - Chemistry input - type: textarea - optional - Paste an existing SMILES, molfile, or short chemistry note when starting from text instead of drawing.

Recommended Workflow

• Open Wetcher and draw the molecule or reaction with the Ketcher canvas.
• Check stereochemistry, charges, atom labels, isotopes, salts, and counterions before exporting.
• Export SMILES or molfile text and paste it into Compound Card, Structure Property Panel, Reaction Stoichiometry, Exact Mass / Isotope Pattern, Safety + Solvent Cards, or other ChemistryAtlas apps.
• Save the exported structure text with any calculation report that depends on it.

Outputs

• A drawn 2D chemical structure or reaction scheme.
• Exportable structure text such as SMILES or molfile content.
• A reusable starting point for ChemistryAtlas apps that accept molecular or reaction input.

Method And Backend Notes

Wetcher is a frontend-native Ketcher integration using open-source EPAM Ketcher components. The app is primarily an editing and handoff surface; downstream ChemistryAtlas tools perform the calculation, lookup, prediction, or report generation after you export the structure.

How To Interpret Results

• Treat the exported structure as the canonical input record for later apps.
• Confirm ambiguous tautomers, protonation states, salts, stereocenters, and isotopic labels before using the structure in a quantitative workflow.
• If a downstream app returns unexpected properties or stoichiometry, return to Wetcher first and inspect whether the drawn structure matches the intended molecule.

Example Input

CC(=O)Oc1ccccc1C(=O)O

Common Checks Before Acting

• Verify all formal charges and hydrogens are intentional.
• Check whether the target should be represented as a neutral molecule, salt, hydrate, mixture, or specific tautomer.
• Keep the exported SMILES or molfile with the final report for reproducibility.

Related Apps

• Structure Editor (structure-editor)
• Structure -> Property Panel (structure-property-panel)
• Compound Card (compound-card)
• Name / Structure Converter (name-structure-converter)
• Reaction Stoichiometry (reaction-stoichiometry)

Acknowledgements And Validation

• Wetcher uses the EPAM Ketcher open-source chemistry editor as the browser-native drawing layer.
• ChemistryAtlas documentation and UI were prepared for chemistry discovery workflows.
• Always validate important structures against primary records, spectra, supplier data, or curated databases before using them for safety, synthesis, assay, or publication decisions.