| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 22 | No |
Popular Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one (E)-3-(1,3-benzodioxol-5-yl)-1-(…
| 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) | 3.06 | -0.38 | -13.17 | 3 | 6 | 0 | 96 | 300.266 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 0.4 | -46.79 | 2 | 6 | -1 | 99 | 299.258 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 0.39 | -47.56 | 2 | 6 | -1 | 99 | 299.258 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306-4-O | Aorta (cluster #4 Of 6), Other | Other | 2250 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102306 | Z102306 | Aorta | 2250 | 0.36 | Functional ≤ 10μM |
