| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 18 | Yes |
Popular Name: 6-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]-1,3-benzodioxol-5-ol 6-[(4H-1,2,4-triazol-3-ylmethyla…
| 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) | 0.26 | 1.38 | -47.27 | 4 | 7 | 1 | 97 | 249.25 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | 1.21 | -39.88 | 3 | 7 | 0 | 95 | 248.242 | 4 | ↓ |
