| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 28th, 2011 | 17 | Yes |
Popular Name: [5-ethyl-1-[(2-fluorophenyl)methyl]triazol-4-yl]methanamine [5-ethyl-1-[(2-fluorophenyl)meth…
| 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) | 1.78 | 3.99 | -51.07 | 3 | 4 | 1 | 58 | 235.286 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 3.6 | -14.05 | 2 | 4 | 0 | 57 | 234.278 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
