| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-[(1-ethyl-4-piperidyl)-methyl-amino]-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-[(1-ethyl-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) | 2.31 | 6.65 | -40.65 | 2 | 4 | 1 | 43 | 293.479 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 7.02 | -93.97 | 3 | 4 | 2 | 48 | 294.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 8.66 | -116.21 | 3 | 4 | 2 | 45 | 294.487 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
