| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | No |
Popular Name: 4-[(5-methylpyrazin-2-yl)methyl]-5-propyl-1,2,4-triazole-3-thiol 4-[(5-methylpyrazin-2-yl)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) | 1.68 | 6.36 | -46.88 | 0 | 5 | -1 | 57 | 248.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 6.38 | -11.72 | 1 | 5 | 0 | 59 | 249.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
