In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 32 | 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) | 5.17 | 7.3 | -21.37 | 2 | 6 | 0 | 77 | 492.706 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Patent Database Links | EP1661886; US2004053786; US2004235959; US2006111403; US2007027154; US2007225336; US2007264299; US2007269467; US2008009452; US2008275061; WO2005118552; WO2006023783; WO2006055922; WO2007089330; WO2008150393; WO2008154528 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.