| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-(4-methylpiperazin-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) | 0.41 | 1.06 | -42.73 | 3 | 5 | 1 | 65 | 251.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | -0.39 | -44.68 | 1 | 5 | -1 | 67 | 249.29 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | -1.32 | -11.66 | 2 | 5 | 0 | 64 | 250.298 | 3 | ↓ |
