| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-2-[2-(4-fluorophenyl)ethylamino]cycloheptanecarbonitrile (1S,2S)-2-[2-(4-fluorophenyl)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) | 4.13 | 9.31 | -46.62 | 2 | 2 | 1 | 40 | 261.364 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 8.53 | -6.79 | 1 | 2 | 0 | 36 | 260.356 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
