| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]butanediamide (2S)-2-amino-N-methyl-N-[(1-meth…
| 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) | -1.69 | -0.81 | -87.74 | 6 | 7 | 2 | 110 | 241.295 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.69 | -1.58 | -18.86 | 4 | 7 | 0 | 107 | 239.279 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.69 | -1.22 | -43.55 | 5 | 7 | 1 | 109 | 240.287 | 5 | ↓ |
