| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(3,4-dihydroxyphenyl)-2-(4-met…
| 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) | 0.68 | 2.12 | -40.57 | 3 | 5 | 1 | 65 | 265.333 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.04 | -65.6 | 2 | 5 | 0 | 68 | 264.325 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | -0.36 | -12.15 | 2 | 5 | 0 | 64 | 264.325 | 3 | ↓ |
