In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 2nd, 2008 | 30 | Yes |
Popular Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridyl)methanone [4-[(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) | 1.40 | 7.31 | -14.74 | 0 | 7 | 0 | 58 | 410.518 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 9.59 | -56.42 | 1 | 7 | 1 | 59 | 411.526 | 6 | ↓ |