In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2008 | 27 | Yes |
Popular Name: 1-(1-benzyl-4-piperidyl)-4-[(3-fluorophenyl)methyl]piperazine 1-(1-benzyl-4-piperidyl)-4-[(3-f…
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) | 3.59 | 10.1 | -36.85 | 1 | 3 | 1 | 11 | 368.52 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 10.04 | -39.26 | 1 | 3 | 1 | 11 | 368.52 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 12.31 | -111.1 | 2 | 3 | 2 | 12 | 369.528 | 5 | ↓ |