| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 19 | No |
Popular Name: 2-Methoxystypandrone 2-Methoxystypandrone
Find On: PubMed — Wikipedia — Google
CAS Number: [85122-21-0]
2-Methoxy-6-acethyl-7-methyljuglone;6-Acetyl-5-hydroxy-2-methoxy-7-methyl-1,4-naphthoquinone
| 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) | 1.61 | 1.25 | -12.18 | 1 | 5 | 0 | 80 | 260.245 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254-1-V | Human Rhinovirus A Protease (cluster #1 Of 3), Viral | Viruses | 4600 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 4600 | 0.39 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.