In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 35 | 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) | 4.71 | 10.78 | -48.58 | 3 | 7 | 1 | 83 | 486.539 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0998285A1; US6037354; WO1998057641A1 | IBM Patent Data |
PUBCHEM_PATENT_ID | US6037354 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.