| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 16 | Yes |
Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-yl)-(…
| 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) | -0.16 | 3.34 | -41.14 | 3 | 7 | 1 | 90 | 226.26 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.16 | 1.36 | -5.31 | 2 | 7 | 0 | 88 | 225.252 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
