| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 30 | No |
Popular Name: 6-Acetonyldihydrochelerythrine 6-Acetonyldihydrochelerythrine
Find On: PubMed — Wikipedia — Google
CAS Number: [22864-92-2]
| 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) | 4.22 | 1.99 | -12.12 | 0 | 6 | 0 | 57 | 405.45 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-2-O | Trypanosoma Brucei Brucei (cluster #2 Of 7), Other | Other | 3900 | 0.25 | Functional ≤ 10μM |
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 6600 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 6600 | 0.24 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 3900 | 0.25 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.