| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S,2S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]cyclohexanamine (1S,2S)-2-methyl-1-[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) | 4.48 | 5.68 | -45.66 | 3 | 2 | 1 | 37 | 274.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 5.5 | -2.08 | 2 | 2 | 0 | 35 | 273.298 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
