In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2010 | 9 | 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) | -0.59 | -6.02 | -6.79 | 1 | 4 | 0 | 51 | 131.131 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.59 | -3.71 | -32.5 | 2 | 4 | 1 | 53 | 132.139 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5182296; US5332754 | IBM Patent Data |