In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 29 | Yes |
Popular Name: 1-(1-benzyl-4-piperidyl)-4-[(4-ethoxyphenyl)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) | 3.88 | 10.25 | -37.1 | 1 | 4 | 1 | 20 | 394.583 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 10.23 | -39.02 | 1 | 4 | 1 | 20 | 394.583 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.88 | 12.5 | -109.47 | 2 | 4 | 2 | 21 | 395.591 | 7 | ↓ |