| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | Yes |
Popular Name: N-[2-(3-bromo-4-fluoro-phenyl)ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(3-bromo-4-fluoro-phenyl)et…
| 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) | 1.04 | 2.14 | -12.51 | 3 | 6 | 0 | 91 | 329.129 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | -0.41 | -47.41 | 2 | 6 | -1 | 94 | 328.121 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 0.68 | -28.71 | 3 | 6 | 0 | 95 | 329.129 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
