| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2006 | 24 | No |
Popular Name: 1-(3,4-dimethoxyphenyl)-3-(2-naphthyl)prop-2-en-1-one 1-(3,4-dimethoxyphenyl)-3-(2-nap…
| 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) | 4.64 | 2.75 | -12.22 | 0 | 3 | 0 | 35 | 318.372 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTPA-1-B | Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Bacterial | Bacteria | 4900 | 0.31 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 9800 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTPA_MYCTU | P65716 | Probable Low Molecular Weight Protein-tyrosine-phosphatase, Myctu | 4900 | 0.31 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 7700 | 0.30 | Functional ≤ 10μM |
