| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-(4-isopropylpiperazin-1-yl)ethanone 1-(3,4-dihydroxyphenyl)-2-(4-iso…
| 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) | 1.09 | 2.25 | -40.05 | 3 | 5 | 1 | 65 | 279.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 0.93 | -44.55 | 1 | 5 | -1 | 67 | 277.344 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 0.01 | -11.46 | 2 | 5 | 0 | 64 | 278.352 | 4 | ↓ |
