| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | Yes |
Popular Name: (2R)-2-(azepan-1-yl)-2-(3-propoxyphenyl)acetonitrile (2R)-2-(azepan-1-yl)-2-(3-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) | 4.03 | 8.41 | -4.95 | 0 | 3 | 0 | 36 | 272.392 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 10.04 | -38.77 | 1 | 3 | 1 | 37 | 273.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
