| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 16 | No |
Popular Name: 4-(1,1-dioxothian-4-yl)-5-ethyl-1,2,4-triazole-3-thiol 4-(1,1-dioxothian-4-yl)-5-ethyl-…
| 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) | -0.10 | 3.84 | -24.74 | 1 | 5 | 0 | 68 | 261.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 3.71 | -54.91 | 0 | 5 | -1 | 65 | 260.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
