In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 24 | No |
Popular Name: 1-[(3-fluorophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine 1-[(3-fluorophenyl)methyl]-4-[(2…
None
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) | 3.08 | 10.06 | -37.3 | 1 | 5 | 1 | 53 | 330.383 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 10.83 | -46.01 | 1 | 5 | 1 | 53 | 330.383 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 8.44 | -9.07 | 0 | 5 | 0 | 52 | 329.375 | 5 | ↓ |