| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 15 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-N,N-diethylacetamide 2-(1,4-diazepan-1-yl)-N,N-diethy…
Find On: PubMed — Wikipedia — Google
CAS Number: 87055-46-7
| 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) | 0.01 | 3.41 | -41.35 | 2 | 4 | 1 | 40 | 214.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 3.93 | -36.8 | 2 | 4 | 1 | 37 | 214.333 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | 5.33 | -109.45 | 3 | 4 | 2 | 41 | 215.341 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0914319A1 | IBM Patent Data |
