| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 14 | Yes |
Popular Name: bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid bicyclo[2.2.2]oct-5-ene-2,3-dica…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28871-80-9 , [28871-80-9]
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Mid Mid (pH 6-8) | 0.10 | 4.5 | -43.96 | 1 | 4 | -1 | 77 | 195.194 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.10 | 2.6 | -7.16 | 2 | 4 | 0 | 75 | 196.202 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.