| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2010 | 27 | No |
Popular Name: 2-[4-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone 2-[4-[2-(3,4-dihydroxyphenyl)-2-…
| 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) | 1.08 | -0.32 | -16.43 | 3 | 7 | 0 | 101 | 370.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 0.6 | -49.91 | 2 | 7 | -1 | 104 | 369.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 0.46 | -51.1 | 2 | 7 | -1 | 104 | 369.397 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 1.89 | -50.76 | 4 | 7 | 1 | 103 | 371.413 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 1.89 | -51.5 | 4 | 7 | 1 | 103 | 371.413 | 6 | ↓ |
