| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: (2S)-2-amino-N-[(1S)-1-methyl-2-(1-piperidyl)ethyl]butanamide (2S)-2-amino-N-[(1S)-1-methyl-2-…
| 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) | 0.43 | 3.82 | -95.97 | 5 | 4 | 2 | 61 | 229.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 2.05 | -53.39 | 4 | 4 | 1 | 67 | 228.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 3.49 | -40.47 | 4 | 4 | 1 | 60 | 228.36 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 1.61 | -28.16 | 3 | 4 | 0 | 66 | 227.352 | 5 | ↓ |
