| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-3-methyl-N-[(1R)-1-methyl-2-(1-piperidyl)ethyl]butanamide (2S)-2-amino-3-methyl-N-[(1R)-1-…
| 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) | 0.67 | 4.41 | -99.05 | 5 | 4 | 2 | 61 | 243.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 2.59 | -51.14 | 4 | 4 | 1 | 67 | 242.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 2.11 | -28.81 | 3 | 4 | 0 | 66 | 241.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 4.07 | -39.42 | 4 | 4 | 1 | 60 | 242.387 | 5 | ↓ |
