| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | Yes |
Popular Name: 1-[(4-methoxyphenyl)methyl]-1,4-diazepan-2-one 1-[(4-methoxyphenyl)methyl]-1,4-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1368422-86-9
| 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) | 0.69 | 4.56 | -46.44 | 2 | 4 | 1 | 46 | 235.307 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 3.28 | -11.57 | 1 | 4 | 0 | 42 | 234.299 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 75 - 77 | Enamine Building Blocks |
| MP | 75...77 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
