| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2010 | 18 | No |
Popular Name: 2-(1,4-diazepan-1-yl)-1-(3,4-dihydroxyphenyl)ethanone 2-(1,4-diazepan-1-yl)-1-(3,4-dih…
| 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) | 0.09 | -0.18 | -47.99 | 4 | 5 | 1 | 77 | 251.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 0.75 | -73.11 | 3 | 5 | 0 | 80 | 250.298 | 3 | ↓ |
