| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 18 | Yes |
Popular Name: 1-[4-(6-fluoro-2-pyridyl)-1,4-diazepan-1-yl]propan-1-one 1-[4-(6-fluoro-2-pyridyl)-1,4-di…
| 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) | 2.01 | 7.16 | -9.76 | 0 | 4 | 0 | 36 | 251.305 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 7.49 | -37.82 | 1 | 4 | 1 | 38 | 252.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
