| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 18 | Yes |
Popular Name: 4-fluoro-3-[[[(1R,3R)-3-methylcyclohexyl]amino]methyl]benzonitrile 4-fluoro-3-[[[(1R,3R)-3-methylcy…
| 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) | 3.26 | 8.45 | -44.3 | 2 | 2 | 1 | 40 | 247.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 7.27 | -4.15 | 1 | 2 | 0 | 36 | 246.329 | 3 | ↓ |
