| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2R)-2-cyclopropyl-2-(ethylamino)-3-[(4S)-4-methylazepan-1-yl]propanenitrile (2R)-2-cyclopropyl-2-(ethylamino…
| 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) | 2.64 | 8.02 | -39.64 | 2 | 3 | 1 | 40 | 250.41 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 7.41 | -2.96 | 1 | 3 | 0 | 39 | 249.402 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
