In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 19 | Yes |
Popular Name: [1-[[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl]-4-piperidyl]methanamine [1-[[5-(2-thienyl)-1,2,4-oxadiaz…
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) | 0.88 | 3.61 | -103.55 | 4 | 5 | 2 | 71 | 280.397 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 1.4 | -49.81 | 3 | 5 | 1 | 70 | 279.389 | 4 | ↓ |