| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 20 | No |
Popular Name: 2-[4-(5-amino-2-pyridyl)piperazin-1-yl]-N-carbamoyl-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) | -0.43 | -0.67 | -41.27 | 6 | 8 | 1 | 119 | 279.324 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.46 | -103.64 | 7 | 8 | 2 | 120 | 280.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | -0.99 | -20.29 | 5 | 8 | 0 | 118 | 278.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.15 | -52.41 | 6 | 8 | 1 | 119 | 279.324 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
