In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2009 | 30 | No |
Popular Name: 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)acetyl]-2H-pyrrol-5-one 3,4-bis(4-hydroxyphenyl)-1-[2-(4…
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) | 2.40 | 4.74 | -19.65 | 3 | 6 | 0 | 98 | 401.418 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 5.53 | -58.92 | 2 | 6 | -1 | 101 | 400.41 | 4 | ↓ |