| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 22 | No |
Popular Name: Platyphyllenone Platyphyllenone
Find On: PubMed — Wikipedia — Google
CAS Number: [56973-65-0]
| 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) | 3.69 | 6.89 | -9.59 | 2 | 3 | 0 | 58 | 296.366 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-1-O | Trypanosoma Brucei Brucei (cluster #1 Of 7), Other | Other | 2600 | 0.36 | Functional ≤ 10μM |
| Z50460-1-O | Leishmania Major (cluster #1 Of 4), Other | Other | 9900 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50460 | Z50460 | Leishmania Major | 9900 | 0.32 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 120 | 0.44 | Functional ≤ 10μM |
