In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 23 | Yes |
Popular Name: 1-[2-[(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexoxy]phenyl]ethanone 1-[2-[(1S,2R)-2-(4-methylpiperaz…
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) | 3.15 | 9.59 | -39.36 | 1 | 4 | 1 | 34 | 317.453 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 7.13 | -9.74 | 0 | 4 | 0 | 33 | 316.445 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.15 | 9.37 | -31.62 | 1 | 4 | 1 | 34 | 317.453 | 4 | ↓ |