| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 17 | No |
Popular Name: 2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]acetonitrile 2-[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) | -0.23 | 0.59 | -11.47 | 0 | 6 | 0 | 69 | 235.291 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 2.66 | -42.91 | 1 | 6 | 1 | 70 | 236.299 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
