In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2008 | 19 | 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) | 0.23 | -2.48 | -11.24 | 4 | 8 | 0 | 119 | 330.142 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.23 | -6.44 | -27.05 | 5 | 8 | 1 | 121 | 331.15 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0776211A1; US4719295; US4997926; US5510336; US6147199; WO1995032718A1 | IBM Patent Data |