| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 15 | Yes |
Popular Name: 5-(3-Fluorophenyl)cyclohexane-1,3-dione 5-(3-Fluorophenyl)cyclohexane-1,…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 762243-25-4 , [762243-25-4]
| 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) | 1.53 | 6.56 | -10.09 | 0 | 2 | 0 | 34 | 206.216 | 1 | ↓ |
| Ref Reference (pH 7) | 2.28 | 6.36 | -41.27 | 0 | 2 | -1 | 40 | 205.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 6.36 | -41.25 | 0 | 2 | -1 | 40 | 205.208 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 4.64 | -10.07 | 1 | 2 | 0 | 37 | 206.216 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 4.64 | -10.08 | 1 | 2 | 0 | 37 | 206.216 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
