| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: 1-(4-hydroxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(4-hydroxyphenyl)-2-(4-methyl-…
| 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) | 1.17 | 4.19 | -37.21 | 2 | 4 | 1 | 45 | 249.334 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 4.96 | -63.93 | 1 | 4 | 0 | 48 | 248.326 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 1.7 | -9.14 | 1 | 4 | 0 | 44 | 248.326 | 3 | ↓ |
