| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 14 | No |
Popular Name: 5-Hydroxy-7-methylnaphthalene-1,4-dione 5-Hydroxy-7-methylnaphthalene-1,…
Find On: PubMed — Wikipedia — Google
CAS Number: 14787-38-3
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.80 | 0.37 | -7.8 | 1 | 3 | 0 | 54 | 188.182 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254-1-V | Human Rhinovirus A Protease (cluster #1 Of 3), Viral | Viruses | 6400 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 6400 | 0.52 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.