In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2010 | 24 | Yes |
Popular Name: 3-(2-chlorophenyl)-5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-1,2,4-oxadiazole 3-(2-chlorophenyl)-5-[(4-pyrroli…
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) | 3.30 | 7.28 | -44.6 | 1 | 5 | 1 | 47 | 347.87 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 7.45 | -39.72 | 1 | 5 | 1 | 47 | 347.87 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 9.69 | -109.83 | 2 | 5 | 2 | 48 | 348.878 | 4 | ↓ |