| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 23 | Yes |
Popular Name: 2-[(5-tert-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-[(5-tert-butyl-4H-1,2,4-triazo…
| 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) | 0.74 | 3.24 | -25.55 | 1 | 8 | 0 | 99 | 361.493 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 3.09 | -50.67 | 0 | 8 | -1 | 98 | 360.485 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
