| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 20 | Yes |
Popular Name: (4-isobutyl-1,4-diazepan-1-yl)-(5-methylpyrazin-2-yl)methanone (4-isobutyl-1,4-diazepan-1-yl)-(…
| 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) | 1.41 | 7.83 | -42.06 | 1 | 5 | 1 | 51 | 277.392 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 6.3 | -8.05 | 0 | 5 | 0 | 49 | 276.384 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
