| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 17 | Yes |
Popular Name: 4-(3,5-Dioxocyclohexyl)benzoicacid 4-(3,5-Dioxocyclohexyl)benzoicacid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 75618-40-5 , [75618-40-5]
| 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) | 1.30 | 7.05 | -55.23 | 0 | 4 | -1 | 74 | 231.227 | 2 | ↓ |
| Ref Reference (pH 7) | 2.05 | 6.85 | -91.22 | 0 | 4 | -2 | 80 | 230.219 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 6.85 | -91.19 | 0 | 4 | -2 | 80 | 230.219 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.13 | -54.58 | 1 | 4 | -1 | 77 | 231.227 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.14 | -54.57 | 1 | 4 | -1 | 77 | 231.227 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
