| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 22nd, 2010 | 16 | Yes |
Popular Name: (2S)-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanenitrile (2S)-3-methyl-2-(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) | 1.86 | 6.79 | -42.13 | 1 | 4 | 1 | 49 | 224.328 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.86 | 4.74 | -8.2 | 0 | 4 | 0 | 47 | 223.32 | 2 | ↓ |
