| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 23 | Yes |
Popular Name: 1-[4-(2-pyridylmethyl)piperazin-1-yl]-4-pyrrolidin-1-yl-butan-1-one 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) | 0.76 | 7.46 | -39.96 | 1 | 5 | 1 | 41 | 317.457 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 7.79 | -85.97 | 2 | 5 | 2 | 42 | 318.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 9.73 | -88.5 | 2 | 5 | 2 | 42 | 318.465 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 10.05 | -178.24 | 3 | 5 | 3 | 43 | 319.473 | 6 | ↓ |
