In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 19 | Yes |
Popular Name: 2-[5-(6-quinolyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-(6-quinolyl)-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) | 1.89 | 2.47 | -45.07 | 3 | 5 | 1 | 79 | 255.301 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 2.23 | -8.86 | 2 | 5 | 0 | 78 | 254.293 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.