| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 24 | Yes |
Popular Name: 2-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[3-(3-tert-butyl-1,2,4-oxad…
| 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) | 0.44 | 3.22 | -45.07 | 3 | 8 | 1 | 107 | 338.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 1.6 | -13.84 | 2 | 8 | 0 | 106 | 337.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
