In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 25 | Yes |
Popular Name: (1S)-2-[4-[(2R)-2-(2-fluorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]-1-phenyl-ethanol (1S)-2-[4-[(2R)-2-(2-fluoropheny…
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) | 1.98 | 2.82 | -7.84 | 2 | 4 | 0 | 47 | 344.43 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 5.11 | -37.97 | 3 | 4 | 1 | 48 | 345.438 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 5.09 | -39.1 | 3 | 4 | 1 | 48 | 345.438 | 6 | ↓ |