| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 12 | Yes |
Popular Name: 3-amino-1-azabicyclo[2.2.2]octane-3-carboxylic acid dihydrochloride 3-amino-1-azabicyclo[2.2.2]octan…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1354960-23-8 , 313643-39-9
1-Azabicyclo[2.2.2]octane-3-carboxylic acid, 3-amino- (9CI)
| 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) | -2.29 | 1.65 | -85.19 | 4 | 4 | 1 | 72 | 171.22 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.29 | 1.42 | -51.56 | 3 | 4 | 0 | 71 | 170.212 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.29 | -0.77 | -43.62 | 3 | 4 | 0 | 71 | 170.212 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
