| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-N-methyl-N-[(1S)-1-(4-pyridyl)ethyl]butanediamide (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) | -0.58 | -0.29 | -42.97 | 5 | 6 | 1 | 104 | 251.31 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | -0.63 | -12.66 | 4 | 6 | 0 | 102 | 250.302 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.58 | 0.16 | -90.53 | 6 | 6 | 2 | 105 | 252.318 | 5 | ↓ |
