| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 17 | Yes |
Popular Name: 1-(4-benzyl-1,4-diazepan-1-yl)ethan-1-one 1-(4-benzyl-1,4-diazepan-1-yl)et…
Find On: PubMed — Wikipedia — Google
CAS Number: 192869-86-6
| 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) | 1.26 | 8.31 | -41.51 | 1 | 3 | 1 | 25 | 233.335 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 6.43 | -9.08 | 0 | 3 | 0 | 24 | 232.327 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
