| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[4-(dimethylamino)-1-piperidyl]ethanone 1-(3,4-dihydroxyphenyl)-2-[4-(di…
| 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) | 0.94 | 2.26 | -41.96 | 3 | 5 | 1 | 65 | 279.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 3.19 | -67.63 | 2 | 5 | 0 | 68 | 278.352 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 4.45 | -111.25 | 4 | 5 | 2 | 66 | 280.368 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 1.85 | -48.2 | 3 | 5 | 1 | 65 | 279.36 | 4 | ↓ |
