| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 18 | Yes |
Popular Name: (2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-ethanone (2S)-2-amino-1-(4-methyl-1,4-dia…
| 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) | -1.06 | 5.56 | -109.58 | 4 | 4 | 2 | 52 | 249.358 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 3.23 | -9.28 | 2 | 4 | 0 | 50 | 247.342 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.06 | 5.23 | -50.62 | 3 | 4 | 1 | 51 | 248.35 | 2 | ↓ |
