| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 20 | No |
Popular Name: 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-nitrophenyl)ethanone 2-(4-methyl-1,4-diazepan-1-yl)-1…
| 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) | 1.61 | 7.74 | -42.08 | 1 | 6 | 1 | 71 | 278.332 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 5.25 | -10.42 | 0 | 6 | 0 | 69 | 277.324 | 4 | ↓ |
