| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 23 | No |
1-Benzopyrylium,2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, chloride (1:1)
| 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) | -0.73 | -3.27 | -12.44 | 5 | 7 | 0 | 122 | 317.273 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.05 | -0.68 | -44.55 | 3 | 7 | 0 | 121 | 316.265 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.05 | -0.56 | -34.95 | 3 | 7 | 0 | 121 | 316.265 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.73 | -2.53 | -25.41 | 4 | 7 | 0 | 124 | 316.265 | 2 | ↓ |
