| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 20 | No |
Popular Name: 2-[4-(6-amino-3-pyridyl)piperazin-1-yl]-N-(cyanomethyl)acetamide 2-[4-(6-amino-3-pyridyl)piperazi…
| 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) | 0.08 | 0.92 | -35.51 | 4 | 7 | 1 | 100 | 275.336 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 0.45 | -12.73 | 3 | 7 | 0 | 98 | 274.328 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
