| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | Yes |
Popular Name: (2S)-2-(1,4-diazepan-1-yl)-2-(4-propoxyphenyl)acetonitrile (2S)-2-(1,4-diazepan-1-yl)-2-(4-…
| 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) | 2.21 | 6.02 | -44.83 | 2 | 4 | 1 | 53 | 274.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 4.66 | -5.99 | 1 | 4 | 0 | 48 | 273.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
