| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (1S,2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexanamine (1S,2R)-N-[(3,5-dimethyl-1H-pyra…
| 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) | 2.95 | 6.46 | -39.82 | 3 | 3 | 1 | 45 | 276.326 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 5.94 | -6.94 | 2 | 3 | 0 | 41 | 275.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
