| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 24 | Yes |
Popular Name: 4-fluoro-3-[[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methyl]benzonitrile 4-fluoro-3-[[4-(5-methylfuran-2-…
| 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) | 1.99 | 9.53 | -50.9 | 1 | 5 | 1 | 62 | 328.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 7.35 | -11.43 | 0 | 5 | 0 | 60 | 327.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
