| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 18 | No |
Popular Name: 3-fluoro-4-[(4-hydroxyimino-1-piperidyl)methyl]benzonitrile 3-fluoro-4-[(4-hydroxyimino-1-pi…
| 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) | 1.61 | 5.85 | -50.92 | 2 | 4 | 1 | 61 | 248.281 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.58 | -10.61 | 1 | 4 | 0 | 60 | 247.273 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 6.89 | -67.06 | 1 | 4 | 0 | 64 | 247.273 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
