In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 37 | 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) | 2.34 | 10.55 | -23.66 | 1 | 12 | 0 | 161 | 524.519 | 25 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0921417A2; EP0928802A2; EP0936233A2; EP0950905A2; EP0978513A1; EP0980696A1; US6130307 | IBM Patent Data |