| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 20 | Yes |
Popular Name: 1,4-dihydroxy-3-[(1S,2R,4S,6R)-2,4,6-trimethyl-2-vinyl-cyclohexyl]pyridin-2-one 1,4-dihydroxy-3-[(1S,2R,4S,6R)-2…
| 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) | 3.32 | 6.94 | -123.62 | 0 | 4 | -2 | 68 | 275.348 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 5.85 | -80.26 | 1 | 4 | -1 | 65 | 276.356 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
