| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 18 | Yes |
Popular Name: (2S)-2-(cycloheptylamino)-2-(2-fluorophenyl)acetonitrile (2S)-2-(cycloheptylamino)-2-(2-f…
| 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) | 3.99 | 7.35 | -5.27 | 1 | 2 | 0 | 36 | 246.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 8.45 | -48.13 | 2 | 2 | 1 | 40 | 247.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
