| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: (3R)-3-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]butanenitrile (3R)-3-[4-(2-methylfuran-3-carbo…
| 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) | -0.25 | 4.58 | -13.88 | 0 | 5 | 0 | 60 | 261.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 6.49 | -49.77 | 1 | 5 | 1 | 62 | 262.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
