| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 24 | Yes |
Popular Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]pyridine-3-carboxylic 2-[4-(2-cyano-3-fluoro-phenyl)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) | 2.08 | 10.85 | -44.35 | 1 | 6 | 0 | 85 | 326.331 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 10.38 | -50.44 | 0 | 6 | -1 | 83 | 325.323 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
