In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 4th, 2011 | 22 | No |
Popular Name: 5-(3,5-dimethoxyphenyl)-3-[[methyl(propyl)amino]methyl]-1,3,4-oxadiazole-2-thione 5-(3,5-dimethoxyphenyl)-3-[[meth…
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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) | 2.60 | 5.7 | -39.36 | 1 | 6 | 1 | 54 | 324.426 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 3.09 | -9.24 | 0 | 6 | 0 | 53 | 323.418 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.