| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 19 | No |
Popular Name: 4-[2-(dimethylamino)-2-methyl-propyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[2-(dimethylamino)-2-methyl-pr…
| 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) | 1.98 | 8.14 | -54.57 | 1 | 5 | 0 | 48 | 277.397 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 5.79 | -49.17 | 0 | 5 | -1 | 47 | 276.389 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 8.02 | -39.96 | 2 | 5 | 1 | 51 | 278.405 | 4 | ↓ |
