| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 20 | No |
Popular Name: 4-[2-(1-piperidinyl)ethyl]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol 4-[2-(1-piperidinyl)ethyl]-5-(4-…
| 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) | 1.94 | 8.89 | -50.85 | 1 | 5 | 0 | 48 | 289.408 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 6.64 | -44.14 | 0 | 5 | -1 | 47 | 288.4 | 4 | ↓ |
