| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2011 | 12 | Yes |
Popular Name: methyl 3-oxo-1,4-diazepane-1-carboxylate methyl 3-oxo-1,4-diazepane-1-car…
Find On: PubMed — Wikipedia — Google
CAS Number: 1258649-98-7
| 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) | -0.07 | 0.33 | -13.53 | 1 | 5 | 0 | 59 | 172.184 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 134 - 136 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.