In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 16 | No |
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) | -0.23 | 2.62 | -10.57 | 0 | 5 | 0 | 50 | 226.276 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5783522; WO1993024485A1; WO1997028129A1 | IBM Patent Data |