| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: N-[2-(4-bromoanilino)-2-oxo-ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide N-[2-(4-bromoanilino)-2-oxo-ethy…
| 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) | 0.31 | -0.29 | -12.74 | 4 | 8 | 0 | 120 | 340.137 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.77 | -2.83 | -53.3 | 3 | 8 | -1 | 123 | 339.129 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.77 | -1.74 | -26.09 | 4 | 8 | 0 | 124 | 340.137 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
