In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2011 | 23 | Yes |
Popular Name: 4-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-3-(2-pyridyl)-1,2,4-oxadiazol-5-one 4-[2-[(2R,6R)-2,6-dimethyl-1-pip…
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) | 1.10 | 8.57 | -16.39 | 0 | 7 | 0 | 81 | 316.361 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.10 | 8.71 | -50.04 | 1 | 7 | 1 | 82 | 317.369 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.