| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | No |
Popular Name: 2-[butyl(ethyl)amino]-1-(3,4-dihydroxyphenyl)ethanone 2-[butyl(ethyl)amino]-1-(3,4-dih…
| 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) | 2.34 | 4.42 | -44.53 | 3 | 4 | 1 | 62 | 252.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 3.37 | -44.51 | 1 | 4 | -1 | 64 | 250.318 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.35 | -61.98 | 2 | 4 | 0 | 65 | 251.326 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 2.44 | -11.03 | 2 | 4 | 0 | 61 | 251.326 | 7 | ↓ |
