| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2011 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-(3,3-dimethyl-1-piperidyl)ethanone 1-(3,4-dihydroxyphenyl)-2-(3,3-d…
| 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) | 2.08 | 2.73 | -10.59 | 2 | 4 | 0 | 61 | 263.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 3.67 | -44.08 | 1 | 4 | -1 | 64 | 262.329 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 4.53 | -45.05 | 3 | 4 | 1 | 62 | 264.345 | 3 | ↓ |
