In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2009 | 13 | No |
Popular Name: (3,4,5-trihydroxyphenyl) (3,4,5-trihydroxyphenyl)
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) | 0.23 | -1.37 | -13.26 | 3 | 5 | 0 | 87 | 184.147 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.23 | -0.36 | -49.36 | 2 | 5 | -1 | 90 | 183.139 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0758013A1; EP0758013B1; US5855971 | IBM Patent Data |