| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: 3-amino-1-[4-(2-pyridylmethyl)piperazin-1-yl]propan-1-one 3-amino-1-[4-(2-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) | -1.14 | 1.17 | -52.76 | 3 | 5 | 1 | 64 | 249.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 1.9 | -89.69 | 4 | 5 | 2 | 65 | 250.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.14 | 3.39 | -103.47 | 4 | 5 | 2 | 65 | 250.346 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -1.14 | 4.15 | -183.86 | 5 | 5 | 3 | 67 | 251.354 | 4 | ↓ |
