| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 26 | Yes |
(6S)-3,5,6-trihydroxy-2-(3-methylbutanoyl)-4,6-bis(3-methylbut-2-enyl)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) | 2.56 | 10.11 | -10.45 | 0 | 5 | 0 | 91 | 361.458 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 8.4 | -106.62 | 1 | 5 | -2 | 100 | 360.45 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 8.8 | -8.39 | 1 | 5 | 0 | 94 | 361.458 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 9.69 | -15.83 | 1 | 5 | 0 | 89 | 362.466 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.419 | Bitter DB |
No pre-computed analogs available. Try a structural similarity search.
