In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2011 | 23 | Yes |
Popular Name: (1R,2R)-N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-(trifluoromethyl)cyclohexanecarboxamide (1R,2R)-N-[[6-(dimethylamino)-3-…
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) | 3.10 | 7.68 | -32.32 | 2 | 4 | 1 | 46 | 330.374 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 7.35 | -8.98 | 1 | 4 | 0 | 45 | 329.366 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.