| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2009 | 16 | Yes |
Popular Name: cis-2-benzoylcyclopentane-1-carboxylic acid cis-2-benzoylcyclopentane-1-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70071-92-0 , [70071-92-0]
| 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) | 2.35 | 8.54 | -53.67 | 0 | 3 | -1 | 57 | 217.244 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 6.12 | -13.31 | 1 | 3 | 0 | 54 | 218.252 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0885869A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.