In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 30 | Yes |
Popular Name: 1-cyclohexyl-4-[[3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine 1-cyclohexyl-4-[[3-(2,3,4-trimet…
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) | 3.48 | 7.27 | -45.29 | 1 | 8 | 1 | 74 | 417.53 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 5.08 | -10.98 | 0 | 8 | 0 | 73 | 416.522 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 7.33 | -48.2 | 1 | 8 | 1 | 74 | 417.53 | 7 | ↓ |