| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 13 | Yes |
Popular Name: (2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one (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) | -0.97 | 2.67 | -101.88 | 4 | 4 | 2 | 52 | 187.287 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 0.38 | -5.73 | 2 | 4 | 0 | 50 | 185.271 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 2.35 | -43.91 | 3 | 4 | 1 | 51 | 186.279 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.97 | 0.7 | -43.17 | 3 | 4 | 1 | 51 | 186.279 | 1 | ↓ |
