In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2012 | 8 | Yes |
Popular Name: exo-7-oxabicyclo[2.2.1]heptan-2-amine exo-7-oxabicyclo[2.2.1]heptan-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1354943-00-2
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) | -0.33 | 0.05 | -41.64 | 3 | 2 | 1 | 37 | 114.168 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.33 | -0.23 | -3.57 | 2 | 2 | 0 | 35 | 113.16 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.