| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[(2S)-2-ethyl-1-piperidyl]ethanone 1-(3,4-dihydroxyphenyl)-2-[(2S)-…
| 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) | 2.29 | 2.49 | -10.89 | 2 | 4 | 0 | 61 | 263.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 3.43 | -44.29 | 1 | 4 | -1 | 64 | 262.329 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 5.47 | -58.6 | 2 | 4 | 0 | 65 | 263.337 | 4 | ↓ |
