| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 20 | Yes |
Popular Name: 4-[3-(1-isoquinolyl)-1,2,4-oxadiazol-5-yl]butan-1-amine 4-[3-(1-isoquinolyl)-1,2,4-oxadi…
| 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) | 1.56 | 3.9 | -53.3 | 3 | 5 | 1 | 79 | 269.328 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 4.46 | -86.24 | 4 | 5 | 2 | 81 | 270.336 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
