| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 10 | No |
Popular Name: 3,5-dihydroxy-6-methyl-2H-pyran-4(3H)-one 3,5-dihydroxy-6-methyl-2H-pyran-…
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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 | 0.93 | -19.73 | 0 | 4 | 0 | 66 | 143.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | -0.52 | -39.84 | 1 | 4 | -1 | 70 | 143.118 | 0 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 0.11 | -12.14 | 1 | 4 | 0 | 64 | 144.126 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.78 | -0.7 | -25.52 | 1 | 4 | 0 | 64 | 144.126 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.