In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2009 | 17 | Yes |
Popular Name: 4-[(2R)-2-(4-fluorophenyl)-2-hydroxy-ethyl]piperazin-2-one 4-[(2R)-2-(4-fluorophenyl)-2-hyd…
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) | 0.79 | 2.36 | -55.36 | 3 | 4 | 1 | 54 | 239.27 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.79 | -0.05 | -11.03 | 2 | 4 | 0 | 53 | 238.262 | 3 | ↓ |