| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 18 | Yes |
Popular Name: 3-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propanenitrile 3-[4-[(5-methyl-1,2,4-oxadiazol-…
| 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) | -0.56 | 1.15 | -11.63 | 0 | 6 | 0 | 69 | 249.318 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | 3.24 | -52.62 | 1 | 6 | 1 | 70 | 250.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.56 | 3.19 | -43.77 | 1 | 6 | 1 | 70 | 250.326 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
