| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 30 | Yes |
Popular Name: 9-Hydroxycalabaxanthone 9-Hydroxycalabaxanthone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 35349-68-9 , [35349-68-9]
| 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) | 5.75 | 7.77 | -10.79 | 2 | 6 | 0 | 89 | 408.45 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH-1-B | Sialidase (cluster #1 Of 1), Bacterial | Bacteria | 5900 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH_CLOPE | P10481 | Sialidase, Clope | 5900 | 0.24 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.