| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 15 | Yes |
Popular Name: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-1,4-diazepane 1-[(1-ethyl-1H-imidazol-2-yl)met…
Find On: PubMed — Wikipedia — Google
CAS Number: 1311317-01-7
| 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) | -0.15 | 4.25 | -83.13 | 3 | 4 | 2 | 39 | 210.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 3.45 | -27.47 | 2 | 4 | 1 | 34 | 209.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 2.95 | -5.92 | 1 | 4 | 0 | 33 | 208.309 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 3.86 | -42.25 | 2 | 4 | 1 | 38 | 209.317 | 3 | ↓ |
| 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.
