A browser-based molecular toolkit — draw structures, explore chemical space, and import from PDB. No installation, no backend.
| Mode | Description |
|---|---|
| BoltzDraw | 2D structure editor (Ketcher) with live property calculations |
| BoltzStar | 3D structure viewer (Mol* / Molstar) — load by PDB ID or upload CIF/PDB |
| BoltzSpace | Chemical space explorer — UMAP and t-SNE projections from a CSV of SMILES |
Cards — per-molecule property grid, updated as you draw. Lipinski violations highlighted in amber/red.
| MW | cLogP | TPSA | HBA | HBD | Fsp3 | RotB | HAC | Hetero | ArRings | Stereo | Unspec |
pKa — estimated pKa values with a pH distribution chart.
Export — download the current canvas as PNG, SVG, CSV, or SDF. CSV and SDF include SMILES, molecule ID, and IUPAC name (fetched from PubChem). SMILES lists all structures inline with a copy-all button.
Peptide — convert a one-letter amino acid sequence to SMILES and load it into the editor. Supports all 20 canonical L-amino acids (uppercase), their D-forms (lowercase), and N/C terminal modifications (free, acetyl, formyl, palmitoyl / free acid, amide, methyl ester).
PDB — enter a 4-character PDB accession code to fetch all small-molecule ligands from the RCSB. Each ligand is shown with its 2D structure, CCD code, name, and formula. Click Import into Editor to load it directly into Ketcher.
Requires a local HTTP server (needed for the Ketcher iframe and ES modules):
python3 -m http.server 4400
# then open http://localhost:4400- Ketcher — 2D structure editor (EPAM)
- RDKit.js — property calculations and mol blocks (WebAssembly)
- Mol* — 3D structure viewer
- RCSB PDB API — PDB ligand data
- PubChem PUG REST — IUPAC names at export time
MIT