In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 24 | No |
Popular Name: 4-phenoxy-1-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)-1-piperidyl]butan-1-one 4-phenoxy-1-[4-(5-sulfanyl-1,3,4…
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) | 1.18 | 4.78 | -19.2 | 1 | 6 | 0 | 71 | 347.44 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.12 | -48.74 | 0 | 6 | -1 | 68 | 346.432 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.