In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2012 | 22 | 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) | 5.52 | 12.26 | -7.62 | 0 | 1 | 0 | 17 | 290.337 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5807873; US5840753; US5972950; WO1997037984A1; WO2000014082A1 | IBM Patent Data |