| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2011 | 25 | Yes |
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
| 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) | 2.03 | 10.84 | -29.54 | 0 | 5 | 0 | 91 | 347.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 9.32 | -12.85 | 1 | 5 | 0 | 94 | 347.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 7.41 | -107.55 | 1 | 5 | -2 | 100 | 346.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 10.12 | -16.19 | 1 | 5 | 0 | 89 | 348.439 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.25 | Bitter DB |
No pre-computed analogs available. Try a structural similarity search.