In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | No |
Popular Name: 1-(3,4-dihydroxyphenyl)-2-[(2S)-2-ethylmorpholin-4-yl]ethanone 1-(3,4-dihydroxyphenyl)-2-[(2S)-…
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) | 1.23 | 0.4 | -11.92 | 2 | 5 | 0 | 70 | 265.309 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 1.33 | -44.39 | 1 | 5 | -1 | 73 | 264.301 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.23 | 2.6 | -48.22 | 3 | 5 | 1 | 71 | 266.317 | 4 | ↓ |