| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 19 | Yes |
Popular Name: [3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzofuran-2-yl]methanamine [3-[(3,5-dimethyl-1,2,4-triazol-…
| 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) | 0.91 | 5.58 | -51.2 | 3 | 5 | 1 | 72 | 257.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 6.01 | -97.42 | 4 | 5 | 2 | 73 | 258.325 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
