In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 16 | 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) | 3.14 | 1.13 | -5.72 | 0 | 2 | 0 | 18 | 218.296 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0775119A1; WO1996004253A1 | IBM Patent Data |
PUBCHEM_PATENT_ID | WO1994012461A1 | IBM Patent Data |