| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 21 | No |
Popular Name: 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-prop-2-en-1-one 3-(2,4-dimethoxyphenyl)-1-(4-hyd…
| 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) | 3.19 | 0.45 | -12.45 | 1 | 4 | 0 | 55 | 284.311 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 650 | 0.41 | Functional ≤ 10μM |
| Z50460-1-O | Leishmania Major (cluster #1 Of 4), Other | Other | 4000 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 650 | 0.41 | Functional ≤ 10μM |
| Z50460 | Z50460 | Leishmania Major | 4000 | 0.36 | Functional ≤ 10μM |
