| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 20 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methyl-4-piperidyl)amino]ethanone 1-(3,4-dihydroxyphenyl)-2-[methy…
| 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 | 2.06 | -45.95 | 3 | 5 | 1 | 65 | 279.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 2.21 | -46.33 | 3 | 5 | 1 | 65 | 279.36 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 3.15 | -70.07 | 2 | 5 | 0 | 68 | 278.352 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | -0.16 | -11.33 | 2 | 5 | 0 | 64 | 278.352 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.94 | 4.45 | -114.89 | 4 | 5 | 2 | 66 | 280.368 | 4 | ↓ |
