In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 28 | Yes |
Popular Name: 1-(1-benzyl-4-piperidyl)-4-[(4-ethylphenyl)methyl]piperazine 1-(1-benzyl-4-piperidyl)-4-[(4-e…
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) | 4.37 | 11.46 | -34.88 | 1 | 3 | 1 | 11 | 378.584 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 11.41 | -37.73 | 1 | 3 | 1 | 11 | 378.584 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 13.68 | -107.52 | 2 | 3 | 2 | 12 | 379.592 | 6 | ↓ |