| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cycloheptanecarbonitrile (1R,2R)-2-[2-(4-chlorophenyl)eth…
| 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) | 4.64 | 9.77 | -45.42 | 2 | 2 | 1 | 40 | 277.819 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.64 | 8.48 | -4.72 | 1 | 2 | 0 | 36 | 276.811 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
