| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 19 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(3S)-3-ethoxy-1-piperidyl]butanamide (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) | 0.79 | 2.65 | -43.04 | 4 | 5 | 1 | 69 | 270.397 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 0.42 | -6.85 | 3 | 5 | 0 | 68 | 269.389 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.79 | 3.56 | -115.21 | 5 | 5 | 2 | 73 | 271.405 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
