In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 25 | Yes |
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) | 4.16 | 10.06 | -10.07 | 2 | 3 | 0 | 44 | 323.399 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 10.36 | -42.05 | 3 | 3 | 1 | 46 | 324.407 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1999000381A1 | IBM Patent Data |