| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 17 | Yes |
Popular Name: (1R)-1-[5-(benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]ethanamine (1R)-1-[5-(benzofuran-2-yl)-4H-1…
| 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) | -0.07 | 3.41 | -44.42 | 4 | 5 | 1 | 82 | 229.263 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | 3.09 | -10.14 | 3 | 5 | 0 | 81 | 228.255 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.07 | 3.27 | -43.31 | 3 | 5 | 0 | 81 | 228.255 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
