| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 24 | No |
Popular Name: 1-[2-(6-acetyl-2,3,4-trihydroxy-phenyl)-3,4,5-trihydroxy-phenyl]ethanone 1-[2-(6-acetyl-2,3,4-trihydroxy-…
| 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) | 1.32 | -5.2 | -18.02 | 6 | 8 | 0 | 156 | 334.28 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | -3.21 | -117.57 | 4 | 8 | -2 | 161 | 332.264 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | -4.23 | -61.11 | 5 | 8 | -1 | 158 | 333.272 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
