| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 30 | No |
Popular Name: Cudraxanthone D Cudraxanthone D
Find On: PubMed — Wikipedia — Google
CAS Number: [96552-41-9]
| 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) | 6.06 | 6.5 | -11.14 | 3 | 6 | 0 | 100 | 410.466 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH-1-B | Sialidase (cluster #1 Of 1), Bacterial | Bacteria | 278 | 0.31 | Binding ≤ 10μM |
| Z102352-1-O | Plasma (cluster #1 Of 3), Other | Other | 6200 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH_CLOPE | P10481 | Sialidase, Clope | 143 | 0.32 | Binding ≤ 1μM |
| NANH_CLOPE | P10481 | Sialidase, Clope | 143 | 0.32 | Binding ≤ 10μM |
| Z102352 | Z102352 | Plasma | 6200 | 0.24 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
