| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide 2-methyl-N-(5-methyl-1H-1,2,4-tr…
| 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) | 1.09 | 6.72 | -13.7 | 2 | 5 | 0 | 71 | 216.244 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 6.56 | -49.87 | 1 | 5 | -1 | 69 | 215.236 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 6.15 | -47 | 1 | 5 | -1 | 77 | 215.236 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
