| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 28 | No |
Popular Name: 3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-chromen-3-yl]oxypropyl-trimethyl-ammonium 3-[2-(3,4-dihydroxyphenyl)-7-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) | -1.43 | 5.96 | -44.08 | 3 | 7 | 1 | 100 | 386.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.43 | 6.75 | -63.67 | 2 | 7 | 0 | 103 | 385.416 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 3800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 3800 | 0.27 | Functional ≤ 10μM |
