In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | Yes |
Popular Name: 1-(2,4-dihydroxyphenyl)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethanone 1-(2,4-dihydroxyphenyl)-2-[(2S,5…
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) | 1.47 | 0.68 | -10.59 | 2 | 5 | 0 | 70 | 265.309 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 1.69 | -52.88 | 1 | 5 | -1 | 73 | 264.301 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 1.46 | -43.71 | 1 | 5 | -1 | 73 | 264.301 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.47 | 2.81 | -41.71 | 3 | 5 | 1 | 71 | 266.317 | 3 | ↓ |