In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 26 | No |
Popular Name: 2-[3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)phenoxy]ethyl 2-[3-hydroxy-4-(2-hydroxy-4-meth…
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) | 3.75 | 4.91 | -14.98 | 2 | 7 | 0 | 102 | 358.346 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 5.91 | -57.15 | 1 | 7 | -1 | 105 | 357.338 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 5.9 | -60.68 | 1 | 7 | -1 | 105 | 357.338 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.75 | 6.68 | -128.7 | 0 | 7 | -2 | 108 | 356.33 | 9 | ↓ |