In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 22 | Yes |
Popular Name: 1-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethyl-piperazine 1-[[3-[(2-chlorophenyl)methyl]-1…
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) | 2.70 | 6.78 | -38.44 | 1 | 5 | 1 | 47 | 321.832 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 6.78 | -40.35 | 1 | 5 | 1 | 47 | 321.832 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 4.47 | -6.34 | 0 | 5 | 0 | 45 | 320.824 | 5 | ↓ |