| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 18 | Yes |
Popular Name: 2-bromo-N-(5-isopropyl-4H-1,2,4-triazol-3-yl)benzamide 2-bromo-N-(5-isopropyl-4H-1,2,4-…
| 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) | 2.51 | 7.58 | -51.55 | 1 | 5 | -1 | 69 | 308.159 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 7.17 | -47.85 | 1 | 5 | -1 | 77 | 308.159 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 7.75 | -9.96 | 2 | 5 | 0 | 71 | 309.167 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
