In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 29 | Yes |
Popular Name: 1-[(4-ethoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine 1-[(4-ethoxyphenyl)methyl]-4-[(2…
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) | 3.29 | 8.74 | -42.63 | 1 | 6 | 1 | 45 | 401.527 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 8.8 | -44.85 | 1 | 6 | 1 | 45 | 401.527 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 6.41 | -10.04 | 0 | 6 | 0 | 43 | 400.519 | 9 | ↓ |