In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 26 | Yes |
Popular Name: 5-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-3-isopropyl-1,2,4-oxadiazole 5-[[4-[(2,5-dimethoxyphenyl)meth…
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) | 2.21 | 4.95 | -41.96 | 1 | 7 | 1 | 65 | 361.466 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 4.95 | -38.26 | 1 | 7 | 1 | 65 | 361.466 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 2.66 | -9.07 | 0 | 7 | 0 | 64 | 360.458 | 7 | ↓ |