| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: (5R)-5-ethyl-1-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepane (5R)-5-ethyl-1-[(5-methylpyrazin…
| 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) | 1.28 | 2.69 | -37.13 | 2 | 4 | 1 | 46 | 235.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 3.56 | -33.65 | 2 | 4 | 1 | 42 | 235.355 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 1.51 | -5.14 | 1 | 4 | 0 | 41 | 234.347 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
