| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 25 | Yes |
Popular Name: (2R)-2-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cycloheptanone (2R)-2-methyl-2-[4-[3-(trifluoro…
| 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) | 4.32 | 8.73 | -7.39 | 0 | 3 | 0 | 24 | 354.416 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.32 | 10.67 | -38.26 | 1 | 3 | 1 | 25 | 355.424 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
