| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 18 | Yes |
Popular Name: 4-fluoro-3-[(5-oxo-1,4-diazepan-1-yl)methyl]benzonitrile 4-fluoro-3-[(5-oxo-1,4-diazepan-…
| 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) | 0.83 | 3.37 | -11.4 | 1 | 4 | 0 | 56 | 247.273 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.83 | 5.44 | -53.44 | 2 | 4 | 1 | 57 | 248.281 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
