| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 31 | Yes |
Popular Name: MANGOSTANOL MANGOSTANOL
Find On: PubMed — Wikipedia — Google
CAS Number: [184587-72-2]
| 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) | 4.74 | 4.4 | -10.25 | 3 | 7 | 0 | 109 | 426.465 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH-1-B | Sialidase (cluster #1 Of 1), Bacterial | Bacteria | 6500 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NANH_CLOPE | P10481 | Sialidase, Clope | 6500 | 0.23 | Binding ≤ 10μM |
