In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 9 | Yes |
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) | -1.82 | -5.07 | -9.62 | 3 | 4 | 0 | 70 | 133.147 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0233249A1; EP0233249B1; EP0365541A1; EP0365541B1; US4069250; US4109081; US4138589; US4224440; US4314055; US4954348; WO1987000757A1 | IBM Patent Data |