| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2010 | 22 | Yes |
Popular Name: 2-fluoro-6-[4-[(3R,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]piperazin-1-yl]benzonitrile 2-fluoro-6-[4-[(3R,5R)-5-methyl-…
| 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) | 0.70 | 7.15 | -11.51 | 0 | 5 | 0 | 57 | 303.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 9.46 | -50.86 | 1 | 5 | 1 | 58 | 304.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
