Visual SmallMolResearch-grade small-molecule tools
SMILES to properties in one click
Molecular weight, logP, TPSA, Lipinski rule of five, and 3D structure—without leaving your workflow.
Research and education only. Not medical advice.
Go to Molecular Properties (MW/logP) to get started.
How it works
Search or enter sequence
Use the search above or go to the calculator to enter SMILES or structure.Peptide Properties
Get properties & dose
Get molecular weight, logP, TPSA, Lipinski check, and 3D structure.
Verify purity
Export SDF, PDB, PNG, PDF. All results traceable and citable.Open Verify →
SMILES → full properties
Enter SMILES or load SDF/PDB. Get molecular weight, logP, TPSA, Lipinski check, and 3D viewer. Export SDF, PDB, PNG, PDF.
3D Structure Viewer & Reaction Demo
View any PDB structure in-site (rotate, zoom, export, cite), or run a multi-frame peptide–receptor binding demo.
Calculator · 3D Viewer · Export
Molecular properties (MW/logP), Lipinski rule check, SMILES validator; SMILES to 3D, SDF upload, conformer preview; export formats and batch export. Calculator → Calculator →
Molecular Properties (MW/logP/Lipinski)
SMILES → MW, logP, TPSA, Lipinski rule of five.
Batch SMILES
Multiple SMILES; table and CSV export.
SMILES Validator
Validate SMILES and common unit conversions.
SMILES to 3D
Generate 3D from SMILES. View in-site, measure, export.
SDF Upload
Load your SDF/PDB. View, measure, export PNG/PDB.
Conformer Preview
Multi-frame 3D demo and conformer playback.
Export Formats
SDF, PDB, PNG. Download and cite.
Batch Export
Export multiple structures or reports in one go.
Docs
Getting started, descriptors, data sources, tutorials.
Pricing
Free tier for research. Pro & Enterprise for teams and API.
Key tools
Jump to molecular properties, 3D viewer, export, or docs.
Calculation standards & reproducibility — IUPAC, Bjellqvist (pI), Expasy ProtParam. All results traceable and citable.
For peptide purity verification (Janoshik), see Verify. For Visual SmallMol quality control, use your preferred third-party lab.