| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2008 | 20 | No |
Popular Name: 2-[(4-methyl-1-piperidyl)methyl]-5-phenyl-4H-1,2,4-triazole-3-thione 2-[(4-methyl-1-piperidyl)methyl]…
| 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) | 2.73 | 10.71 | -36.39 | 2 | 4 | 1 | 38 | 289.428 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 10.27 | -33.57 | 1 | 4 | 0 | 35 | 288.42 | 3 | ↓ |
