| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 20 | No |
Popular Name: (2E)-3-(2,4-dimethoxyphenyl)-1-phenylprop-2-en-1-one (2E)-3-(2,4-dimethoxyphenyl)-1-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) | 3.67 | 7.91 | -11.51 | 0 | 3 | 0 | 36 | 268.312 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 69 - 70 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 650 | 0.43 | Functional ≤ 10μM |
| Z50460-1-O | Leishmania Major (cluster #1 Of 4), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 650 | 0.43 | Functional ≤ 10μM |
| Z50460 | Z50460 | Leishmania Major | 4000 | 0.38 | Functional ≤ 10μM |
