In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 32 | No |
None
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) | 3.72 | 9.33 | -14.28 | 2 | 6 | 0 | 101 | 444.568 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0223524A2; EP0223524B1; EP0766960A1; EP0781546A1; US4478818; US4765983; US4880416; US5914118 | IBM Patent Data |