| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2010 | 16 | Yes |
Popular Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-[(2S)-pyrrolidin-2-yl]ethanone 1-(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) | 1.49 | 6.03 | -87.02 | 3 | 4 | 2 | 41 | 227.352 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.94 | -33.57 | 2 | 4 | 1 | 40 | 226.344 | 2 | ↓ |
