| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 26 | No |
Popular Name: (E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one (E)-1,7-Bis(4-hydroxy-3-methoxyp…
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CAS Numbers: 128700-97-0 , [128700-97-0]
1,7-Bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one, 9CI
| 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) | 3.32 | 6.87 | -13.68 | 2 | 5 | 0 | 76 | 356.418 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103192-1-O | Trypanosoma Evansi (cluster #1 Of 2), Other | Other | 170 | 0.36 | Functional ≤ 10μM |
| Z50420-1-O | Trypanosoma Brucei Brucei (cluster #1 Of 7), Other | Other | 82 | 0.38 | Functional ≤ 10μM |
| Z50460-1-O | Leishmania Major (cluster #1 Of 4), Other | Other | 8900 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50460 | Z50460 | Leishmania Major | 8900 | 0.27 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 23 | 0.41 | Functional ≤ 10μM |
| Z103192 | Z103192 | Trypanosoma Evansi | 170 | 0.36 | Functional ≤ 10μM |
