UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32131051
32131051
32131052
32131052
32230241
32230241
32230245
32230245

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6-diphenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3,6-diphenyl[1,2,4]triazolo[3,4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

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) 3.90 10.25 -10.57 0 4 0 43 284.388 2 ↓

Analogs

32131051
32131051
32131052
32131052
32210876
32210876
32230245
32230245

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-6-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-(4-chlorophenyl)-6-cyclohexyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

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) 4.58 0.83 -8.3 0 4 0 43 318.833 2 ↓

Parameters Provided:

ring.id = 221202
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 221202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=221202&filter.purchasability=annotated

Embed Link to Results