In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 16 | Yes |
Popular Name: (4R)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,2-dimethyl-tetrahydropyran-4-amine (4R)-4-(5-ethyl-1,2,4-oxadiazol-…
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) | 1.23 | 0.89 | -40.04 | 3 | 5 | 1 | 76 | 226.3 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 0.77 | -6.41 | 2 | 5 | 0 | 74 | 225.292 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.