| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(4-propoxyphenyl)acetonitrile (2S)-2-(azepan-1-yl)-2-(4-propox…
| 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) | 4.06 | 8.38 | -6.01 | 0 | 3 | 0 | 36 | 272.392 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.06 | 10.14 | -40.3 | 1 | 3 | 1 | 37 | 273.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
