| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 8 | Yes |
Popular Name: (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-3-one (1S,4S)-2,5-diazabicyclo[2.2.1]h…
Find On: PubMed — Wikipedia — Google
CAS Number: 80986-21-6
| 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) | -0.83 | -1.3 | -44.69 | 3 | 3 | 1 | 46 | 113.14 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.83 | -2.61 | -7.63 | 2 | 3 | 0 | 41 | 112.132 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4303662; US4321383 | IBM Patent Data |
