| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 19 | No |
Popular Name: 2-Phenoxynaphthalene-1,4-dione 2-Phenoxynaphthalene-1,4-dione
Find On: PubMed — Wikipedia — Google
CAS Number: 220459-72-3
| 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) | 3.35 | 8.65 | -8.33 | 0 | 3 | 0 | 43 | 250.253 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 1260 | 0.43 | Functional ≤ 10μM |
| Z50466-4-O | Trypanosoma Cruzi (cluster #4 Of 8), Other | Other | 1260 | 0.43 | Functional ≤ 10μM |
| Z50725-3-O | Trypanosoma Brucei Rhodesiense (cluster #3 Of 7), Other | Other | 80 | 0.52 | Functional ≤ 10μM |
| Z81135-2-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #2 Of 6), Other | Other | 5920 | 0.39 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 1260 | 0.43 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 80 | 0.52 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 1260 | 0.43 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 5920 | 0.39 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.