In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | Yes |
Popular Name: 1-(2,4-dihydroxyphenyl)-2-[(3S)-3-ethylmorpholin-4-yl]ethanone 1-(2,4-dihydroxyphenyl)-2-[(3S)-…
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) | 1.64 | 0.66 | -10.24 | 2 | 5 | 0 | 70 | 265.309 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 1.67 | -52.76 | 1 | 5 | -1 | 73 | 264.301 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 1.43 | -43.52 | 1 | 5 | -1 | 73 | 264.301 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 2.71 | -41.61 | 3 | 5 | 1 | 71 | 266.317 | 4 | ↓ |