| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 21 | No |
Popular Name: (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-(p-tolyl)prop-2-en-1-one (E)-1-(2,4-dihydroxy-6-methoxy-p…
| 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) | 3.68 | 3.77 | -10.52 | 2 | 4 | 0 | 67 | 284.311 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 4.54 | -46 | 1 | 4 | -1 | 70 | 283.303 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 4.54 | -52.34 | 1 | 4 | -1 | 70 | 283.303 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457-1-O | Leishmania Amazonensis (cluster #1 Of 3), Other | Other | 7400 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50457 | Z50457 | Leishmania Amazonensis | 7400 | 0.34 | Functional ≤ 10μM |
