In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 16 | Yes |
Popular Name: [1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-piperidyl]methanamine [1-[(5-ethyl-1,2,4-oxadiazol-3-y…
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) | -0.03 | 2.35 | -102.56 | 4 | 5 | 2 | 71 | 226.324 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.03 | 0.14 | -49.56 | 3 | 5 | 1 | 70 | 225.316 | 4 | ↓ |