| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 24 | Yes |
Popular Name: oxazine 1 perchlorate oxazine 1 perchlorate
Find On: PubMed — Wikipedia — Google
CAS Number: 24796-94-9
| 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) | 1.82 | 11.31 | -9.05 | 0 | 4 | 0 | 31 | 324.448 | 6 | ↓ |
| Ref Reference (pH 7) | 0.96 | 10.23 | -19.87 | 0 | 4 | 1 | 32 | 324.448 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5 | 0.48 | Functional ≤ 10μM |
| Z50459-8-O | Leishmania Donovani (cluster #8 Of 8), Other | Other | 214 | 0.39 | Functional ≤ 10μM |
| Z50466-2-O | Trypanosoma Cruzi (cluster #2 Of 8), Other | Other | 36 | 0.43 | Functional ≤ 10μM |
| Z50725-7-O | Trypanosoma Brucei Rhodesiense (cluster #7 Of 7), Other | Other | 228 | 0.39 | Functional ≤ 10μM |
| Z81135-5-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #5 Of 6), Other | Other | 6700 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 214 | 0.39 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2.8 | 0.50 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 228 | 0.39 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 36 | 0.43 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 6700 | 0.30 | ADME/T ≤ 10μM |
