| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 8 | Yes |
Popular Name: 1,4-diazepan-2-one 1,4-diazepan-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1056010-05-9 , 99822-50-1 , [99822-50-1]
| 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) | -0.51 | -0.94 | -44.35 | 3 | 3 | 1 | 46 | 115.156 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.51 | -2.37 | -7.16 | 2 | 3 | 0 | 41 | 114.148 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
