| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 23 | No |
Popular Name: N-(2-bromo-4-nitro-phenyl)-2-[(5-isopropyl-2H-1,2,4-triazol-3-yl)sulfanyl]acetamide N-(2-bromo-4-nitro-phenyl)-2-[(5…
| 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) | 2.95 | 7.28 | -10.45 | 2 | 8 | 0 | 116 | 400.258 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 7.08 | -40.28 | 1 | 8 | -1 | 115 | 399.25 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
