| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: (2S)-3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (2S)-3-(azepan-1-yl)-2-cycloprop…
| 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) | 2.63 | 7.28 | -39.75 | 2 | 3 | 1 | 40 | 236.383 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.33 | -5.48 | 1 | 3 | 0 | 39 | 235.375 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
