| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2009 | 10 | No |
Popular Name: 3,5-dihydroxy-6-methyl-2H-pyran-4(3H)-one 3,5-dihydroxy-6-methyl-2H-pyran-…
Find On: PubMed — Wikipedia — Google
CAS Number: 28564-83-2
2,3-Dihydro-2,5-dihydoxy-6-methyl-4-H-pyran-4-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) | -1.78 | -1.39 | -8.18 | 0 | 4 | 0 | 66 | 143.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | -0.51 | -39.84 | 1 | 4 | -1 | 70 | 143.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | -0.85 | -48.31 | 1 | 4 | -1 | 70 | 143.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | -1.92 | -7.45 | 1 | 4 | 0 | 64 | 144.126 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.