| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 21 | Yes |
Popular Name: 2-[4-(5-amino-2-pyridyl)piperazin-1-yl]-N-isobutyl-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) | 1.42 | 2.96 | -30.57 | 4 | 6 | 1 | 76 | 292.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.14 | -91.75 | 5 | 6 | 2 | 77 | 293.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 4.82 | -39.72 | 4 | 6 | 1 | 76 | 292.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 2.65 | -9.79 | 3 | 6 | 0 | 74 | 291.399 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
