| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 19 | Yes |
Popular Name: (2S)-3-(azocan-1-yl)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2S)-3-(azocan-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) | 3.43 | 7.61 | -35.53 | 2 | 3 | 1 | 40 | 264.437 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 7 | -3.99 | 1 | 3 | 0 | 39 | 263.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
