| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 19 | Yes |
Popular Name: trans-2-(2,4-dimethylbenzoyl)cyclohexane-1-carboxylic acid trans-2-(2,4-dimethylbenzoyl)cyc…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 733742-81-9 , 85603-44-7
| 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) | 3.69 | 10.09 | -57.39 | 0 | 3 | -1 | 57 | 259.325 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.69 | 8.12 | -9.15 | 1 | 3 | 0 | 54 | 260.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.