| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 23 | Yes |
Popular Name: (2S)-2-(diethylamino)-2-(2-hydroxy-3-methoxy-phenyl)-1-piperazin-1-yl-ethanone (2S)-2-(diethylamino)-2-(2-hydro…
| 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) | 0.87 | 1.6 | -46.71 | 3 | 6 | 1 | 70 | 322.429 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 0.89 | -8.87 | 2 | 6 | 0 | 65 | 321.421 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 1.69 | -40.92 | 1 | 6 | -1 | 68 | 320.413 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 3.71 | -21.16 | 2 | 6 | 0 | 69 | 321.421 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | 4.29 | -88.62 | 4 | 6 | 2 | 71 | 323.437 | 6 | ↓ |
