| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 20 | No |
Popular Name: 2-[4-(5-amino-2-pyridyl)piperazin-1-yl]-N-(cyanomethyl)acetamide 2-[4-(5-amino-2-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 | 0.86 | -11.97 | 3 | 7 | 0 | 98 | 274.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 1.17 | -33.91 | 4 | 7 | 1 | 100 | 275.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 3.33 | -99.31 | 5 | 7 | 2 | 101 | 276.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 3.02 | -47.09 | 4 | 7 | 1 | 99 | 275.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
