| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethanone 1-(3,4-dihydroxyphenyl)-2-[(3S,5…
| 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) | 2.15 | 4.62 | -45.68 | 3 | 4 | 1 | 62 | 264.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.37 | -44.32 | 1 | 4 | -1 | 64 | 262.329 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 5.55 | -62.12 | 2 | 4 | 0 | 65 | 263.337 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 2.44 | -10.98 | 2 | 4 | 0 | 61 | 263.337 | 3 | ↓ |
