| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 27 | Yes |
Popular Name: 1-(methoxymethyl)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic 1-(methoxymethyl)-2,6-dimethyl-4…
| 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) | 2.99 | 8.98 | -123.36 | 0 | 6 | -2 | 93 | 383.322 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 7.34 | -67.37 | 1 | 6 | -1 | 90 | 384.33 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 7.17 | -55.87 | 1 | 6 | -1 | 90 | 384.33 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0474129A2; EP0474129B1; US5234821; US5336774 | IBM Patent Data |
