| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 28 | No |
Popular Name: (E)-1-(2-hydroxy-3,4,5,6-tetramethoxy-phenyl)-3-(3-nitrophenyl)prop-2-en-1-one (E)-1-(2-hydroxy-3,4,5,6-tetrame…
| 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) | 3.47 | 7.03 | -13.47 | 1 | 9 | 0 | 120 | 389.36 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 7.96 | -47.41 | 0 | 9 | -1 | 123 | 388.352 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 4400 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 4400 | 0.27 | Functional ≤ 10μM |
