In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 19 | 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) | 3.57 | 10.09 | -53.74 | 0 | 3 | -1 | 53 | 260.357 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 10.56 | -57.78 | 1 | 3 | 0 | 54 | 261.365 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4786646; US4788206; US4916145; US4927826; US4927838; US4975438 | IBM Patent Data |