In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 18 | Yes |
Popular Name: 1-(2,4-dihydroxyphenyl)-2-[(3R)-3-methylmorpholin-4-yl]ethanone 1-(2,4-dihydroxyphenyl)-2-[(3R)-…
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) | 1.10 | -0.05 | -10.56 | 2 | 5 | 0 | 70 | 251.282 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.10 | 0.96 | -52.79 | 1 | 5 | -1 | 73 | 250.274 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.10 | 0.73 | -43.7 | 1 | 5 | -1 | 73 | 250.274 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 2.06 | -41.68 | 3 | 5 | 1 | 71 | 252.29 | 3 | ↓ |