| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanone 1-(3,4-dihydroxyphenyl)-2-(3,3-d…
| 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) | 1.18 | -0.22 | -11.66 | 2 | 5 | 0 | 70 | 265.309 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 0.71 | -44.16 | 1 | 5 | -1 | 73 | 264.301 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.18 | 1.81 | -41.97 | 3 | 5 | 1 | 71 | 266.317 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
