| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2010 | 17 | No |
Popular Name: 4-[(2R)-2-methylbutyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol 4-[(2R)-2-methylbutyl]-5-(4-pyri…
| 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) | 2.62 | 7.34 | -44.1 | 0 | 4 | -1 | 44 | 247.347 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 7.3 | -10.15 | 1 | 4 | 0 | 47 | 248.355 | 4 | ↓ |
