In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 27 | Yes |
Popular Name: 1-(1-benzyl-4-piperidyl)-4-[(4-chlorophenyl)methyl]piperazine 1-(1-benzyl-4-piperidyl)-4-[(4-c…
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) | 4.13 | 10.55 | -37.32 | 1 | 3 | 1 | 11 | 384.975 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 10.52 | -38.18 | 1 | 3 | 1 | 11 | 384.975 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.13 | 12.78 | -110.07 | 2 | 3 | 2 | 12 | 385.983 | 5 | ↓ |