| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 15 | Yes |
Popular Name: (4-methyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (4-methyl-1,4-diazepan-1-yl)-[(2…
| 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) | 0.00 | 4.97 | -93.74 | 3 | 4 | 2 | 41 | 213.325 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 2.46 | -37.08 | 2 | 4 | 1 | 40 | 212.317 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 1.16 | -9.74 | 1 | 4 | 0 | 36 | 211.309 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.67 | -44.17 | 2 | 4 | 1 | 37 | 212.317 | 1 | ↓ |
