| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-N-methyl-N-[(1S)-1-(4-pyridyl)ethyl]pentanamide (2S)-2-amino-N-methyl-N-[(1S)-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) | 0.63 | 3.59 | -46.81 | 3 | 4 | 1 | 61 | 236.339 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 3.26 | -9.87 | 2 | 4 | 0 | 59 | 235.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 4.05 | -89.75 | 4 | 4 | 2 | 62 | 237.347 | 5 | ↓ |
