| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2006 | 28 | No |
Popular Name: 2-[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)-acetamide 2-[(5-benzyl-4H-1,2,4-triazol-3-…
| 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) | 3.12 | 8.48 | -21.47 | 2 | 9 | 0 | 126 | 399.432 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 8.33 | -43.83 | 1 | 9 | -1 | 124 | 398.424 | 8 | ↓ |
