In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 26 | Yes |
Popular Name: 4-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethyl]morpholine 4-[2-[2-(3-phenyl-1,2,4-oxadiazo…
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) | 3.61 | 6.49 | -13.44 | 0 | 6 | 0 | 61 | 351.406 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 8.75 | -40.76 | 1 | 6 | 1 | 62 | 352.414 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0934288A1; WO1998017652A1 | IBM Patent Data |