| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 16 | Yes |
Popular Name: [5-(benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]methanamine [5-(benzofuran-2-yl)-4H-1,2,4-tr…
| 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) | 1.25 | 2.89 | -44.9 | 4 | 5 | 1 | 82 | 215.236 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 2.52 | -12.44 | 3 | 5 | 0 | 81 | 214.228 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 2.72 | -44.26 | 3 | 5 | 0 | 81 | 214.228 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
