In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2009 | 25 | Yes |
Popular Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[2-(2-pyridyl)ethyl]piperazine 1-[(3,4-dimethoxyphenyl)methyl]-…
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) | 1.91 | 7.67 | -43.2 | 1 | 5 | 1 | 39 | 342.463 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 7.73 | -44.52 | 1 | 5 | 1 | 39 | 342.463 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 5.35 | -9.01 | 0 | 5 | 0 | 38 | 341.455 | 7 | ↓ |