| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 17 | Yes |
Popular Name: 2-amino-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone 2-amino-1-[4-(3-pyridylmethyl)pi…
| 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) | -1.48 | 0.54 | -50.63 | 3 | 5 | 1 | 64 | 235.311 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.48 | 0.13 | -11.17 | 2 | 5 | 0 | 62 | 234.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.48 | 2.75 | -110.69 | 4 | 5 | 2 | 65 | 236.319 | 3 | ↓ |
