| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 19 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(3S)-3-ethoxy-1-piperidyl]butanoic (2S)-2-(cyclopropylamino)-4-[(3S…
| 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) | -0.71 | 5.2 | -33.78 | 2 | 5 | 0 | 69 | 270.373 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 7.43 | -79.74 | 3 | 5 | 1 | 70 | 271.381 | 8 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 6.49 | -48.75 | 2 | 5 | 0 | 66 | 270.373 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
