| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 14 | Yes |
Popular Name: 5-Pyridin-4-ylcyclohexane-1,3-dione 5-Pyridin-4-ylcyclohexane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 75618-39-2 , [75618-39-2]
| 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) | 0.10 | 4.76 | -12.33 | 0 | 3 | 0 | 47 | 189.214 | 1 | ↓ |
| Ref Reference (pH 7) | 0.85 | 4.57 | -40.88 | 0 | 3 | -1 | 53 | 188.206 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 4.57 | -40.9 | 0 | 3 | -1 | 53 | 188.206 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 2.84 | -11.25 | 1 | 3 | 0 | 50 | 189.214 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 2.84 | -11.25 | 1 | 3 | 0 | 50 | 189.214 | 1 | ↓ |
