In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 16 | Yes |
Popular Name: N,N-dimethyl-2-[3-[(2R)-2-piperidyl]-1,2,4-oxadiazol-5-yl]ethanamine N,N-dimethyl-2-[3-[(2R)-2-piperi…
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) | 0.90 | 3.42 | -88.72 | 3 | 5 | 2 | 60 | 226.324 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 0.94 | -35.31 | 2 | 5 | 1 | 59 | 225.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.