| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2010 | 21 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[(1-ethyl-4-piperidyl)-methyl-amino]ethanone 1-(3,4-dihydroxyphenyl)-2-[(1-et…
| 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) | 1.32 | 2.87 | -46 | 3 | 5 | 1 | 65 | 293.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 2.89 | -45.57 | 3 | 5 | 1 | 65 | 293.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.32 | 3.8 | -68.83 | 2 | 5 | 0 | 68 | 292.379 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 0.64 | -11.17 | 2 | 5 | 0 | 64 | 292.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 5.12 | -115.51 | 4 | 5 | 2 | 66 | 294.395 | 5 | ↓ |
