In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 46 | 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) | 5.98 | 3.11 | -96.54 | 3 | 8 | 2 | 75 | 626.794 | 10 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0889731A1; US5627195; US5721215; WO1996032108A1; WO1997034624A1 | IBM Patent Data |