Draw, Identity, and Visualization
Compound Card
Resolve names, formulas, SMILES, and InChI into formula, MW, exact mass, identifiers, drug-like descriptors, percent composition, and PubChem context.
ChemistryAtlas Apps Hub
Compound identity, drawing, and molecular visualization tools
Use ChemistryAtlas tools for structure drawing, SMILES and InChI conversion, compound cards, name lookup, structure cleanup, periodic table reference, and 2D or 3D molecular visualization.
Start from a drawn molecule, pasted identifier, uploaded structure file, or public database ID, then move the same structure into property, analysis, and visualization workflows.
Compound Identity Tools
Start from a drawn molecule, pasted identifier, uploaded structure file, or public database ID, then move the same structure into property, analysis, and visualization workflows.
What this hub covers
The Compound Identity Tools hub collects the daily entry points chemists use before doing any calculation: draw a molecule, normalize identifiers, inspect molecular properties, open PDB/CIF/MOL/SDF files, and prepare a clean structure for downstream tools.
Common workflows
- Draw or paste a structure once, then reuse it across lookup, property, spectra, and safety apps.
- Convert among names, SMILES, InChI, molecular formula, and common structure file formats.
- Inspect small molecules, crystals, proteins, trajectories, and macromolecular structures in browser viewers.
Related ChemistryAtlas pages
Featured tools in this workflow
Draw, Identity, and Visualization
Wetcher
Draw molecules and reactions with the EPAM Ketcher editor, then export SMILES or molfile text into ChemistryAtlas tools.
Draw, Identity, and Visualization
WeNGL
High-performance browser visualization for proteins, nucleic acids, complexes, and molecular structure files using NGL Viewer.
Draw, Identity, and Visualization
WyMOL
Hybrid molecular figure app: preview structures in the browser, then generate PyMOL scripts and publication-style render outputs on the backend.
Draw, Identity, and Visualization
ChimeraXWeb
Run ChimeraX-backed structure superposition, RMSD, contacts, H-bonds, clashes, surface/pocket inspection, density-map fitting, figure rendering, and command scripts from the web.
Draw, Identity, and Visualization
VMDWeb
Analyze molecular-dynamics trajectories and VMD atom selections from the web with NGL preview and backend VMD Tcl workflows.
Draw, Identity, and Visualization
JSMolView
Visualize molecules, crystals, and Jmol scripts with a JSmol/Jmol-compatible browser viewer.
Draw, Identity, and Visualization
3DXView
Render small molecules, crystals, PDB files, SDF/MOL blocks, and XYZ coordinates with 3Dmol.js.
Draw, Identity, and Visualization
MacroVis
Explore proteins, nucleic acids, complexes, CIF/mmCIF structures, PDB IDs, and AlphaFold entries using Mol*.
Draw, Identity, and Visualization
Name / Structure / SMILES / InChI Converter
Normalize names, formulas, SMILES, and identifiers into a shared conversion workspace.
Reference + Methods
pKa Predictor / Lookup
Detect ionizable functional groups and return pKa range hints from RDKit SMARTS plus lookup tables.
Reference + Methods
Recrystallization / TLC Solvent Picker
Choose solvent systems and TLC polarity adjustments from Rf or compound context.
Draw, Identity, and Visualization
Structure Standardizer
Normalize tautomer, salt, charge, and protonation-state cleanup requests.
Reference + Methods
Named Reaction + Mechanism Reference
Look up named reaction summaries and mechanism reminders.
Reference + Methods
Patent + Literature Precedent Search
Build patent/literature precedent search links, parse pasted examples, and structure conditions/yields/route summaries for review.
Draw, Identity, and Visualization
Batch Compound Registration
Canonicalize compound batches, deduplicate structures, assign ChemistryAtlas IDs, and export registration CSV/SDF.
Draw, Identity, and Visualization
WESTA
View crystal and molecular structures in a web-native VESTA-style structure viewer.
Draw, Identity, and Visualization
Periodic Table
Explore elemental properties, periodic trends, filters, electron information, and selected element sets for chemistry workflows.