| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[(2R)-2-methyl-1-piperidyl]ethanone 1-(3,4-dihydroxyphenyl)-2-[(2R)-…
| 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) | 1.76 | 3.93 | -42.03 | 3 | 4 | 1 | 62 | 250.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 2.8 | -44.43 | 1 | 4 | -1 | 64 | 248.302 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 4.86 | -58.89 | 2 | 4 | 0 | 65 | 249.31 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 1.88 | -11.08 | 2 | 4 | 0 | 61 | 249.31 | 3 | ↓ |
