| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2009 | 13 | Yes |
Popular Name: (2S)-2-methyl-3-(4-methyl-1,4-diazepan-1-yl)propanenitrile (2S)-2-methyl-3-(4-methyl-1,4-di…
| 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) | 1.04 | 5.37 | -39.01 | 1 | 3 | 1 | 31 | 182.291 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 3.24 | -6.53 | 0 | 3 | 0 | 30 | 181.283 | 2 | ↓ |
