| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | No |
Popular Name: 1-[4-(2-pyridylmethyl)piperazin-1-yl]butane-1,3-dione 1-[4-(2-pyridylmethyl)piperazin-…
| 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) | -0.40 | 5.26 | -19.22 | 0 | 5 | 0 | 54 | 261.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 5.99 | -46.22 | 1 | 5 | 1 | 55 | 262.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.40 | 7.48 | -53.82 | 1 | 5 | 1 | 55 | 262.333 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 8.24 | -124.48 | 2 | 5 | 2 | 56 | 263.341 | 4 | ↓ |
