| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 12 | Yes |
Popular Name: 1,4-Diazabicyclo[2.2.2]octane-2-carboxylic acid, methyl ester (8CI,9CI) 1,4-Diazabicyclo[2.2.2]octane-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: 29924-68-3
| 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) | -0.06 | 1.97 | -40.15 | 1 | 4 | 1 | 34 | 171.22 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | -0.49 | -5.27 | 0 | 4 | 0 | 33 | 170.212 | 2 | ↓ |
