In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 34 | Yes |
Popular Name: 3-[(R)-hydroxy-[4-(2-morpholinoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)benzothiophen-6-ol 3-[(R)-hydroxy-[4-(2-morpholinoe…
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) | 4.62 | 4.02 | -11.37 | 3 | 6 | 0 | 82 | 477.582 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.62 | 6.32 | -44.35 | 4 | 6 | 1 | 84 | 478.59 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5484798; US5492921 | IBM Patent Data |