In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 17 | Yes |
Popular Name: 3-(3-pyridyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole 3-(3-pyridyl)-5-(3,3,3-trifluoro…
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) | 2.35 | 3.8 | -8.21 | 0 | 4 | 0 | 52 | 243.188 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 4.26 | -40.02 | 1 | 4 | 1 | 53 | 244.196 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.