iview
an interactive WebGL visualizer
| Query file | Ranking score | Submitted time | Started time | Completed time | Status (tutorial) |
|---|---|---|---|---|---|
Output files of the hit molecules for download
hits.csv
hits.sdfSimilarities of the hit molecule to the query molecule
- USR score:
- USRCAT score:
- 2D Tanimoto score:
Keyings of iview
- Default: rotate
- Ctrl: translate
- Shift: zoom in/out
- Ctrl + shift: slab
Chemical structure of the query molecule
Chemical structure of the hit molecule
11 chemical properties of the hit molecule
- ZINC ID: vendors & annotations
- Heavy atoms:
- Molecular weight (g/mol):
- Partition coefficient xlogP:
- Rotatable bonds:
- Hydrogen bond donors:
- Hydrogen bond acceptors:
- Net charge:
- Apolar desolvation (kcal/mol):
- Polar desolvation (kcal/mol):
- Polar surface area tPSA (Å2):
- SMILES:
Hongjian Li, Kwong-Sak Leung, Takanori Nakane and Man-Hon Wong. iview: an interactive WebGL visualizer for protein-ligand complex. BMC Bioinformatics, 15(1):56, 2014. DOI: 10.1186/1471-2105-15-56