UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-chlorophenyl)-1-phenyl-2-thioxo-1,2,3,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrazin-6(5H)-one 7-(4-chlorophenyl)-1-phenyl-2-th…

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) 2.71 12.01 -11.95 1 5 0 46 356.838 2 ↓
Hi High (pH 8-9.5) 3.44 12 -40.9 0 5 -1 43 355.83 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,7-bis(4-chlorophenyl)-2-thioxo-1,2,3,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrazin-6(5H)-one 1,7-bis(4-chlorophenyl)-2-thioxo…

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) 3.39 12.54 -11.1 1 5 0 46 391.283 2 ↓
Hi High (pH 8-9.5) 4.12 12.5 -36.72 0 5 -1 43 390.275 2 ↓

Parameters Provided:

ring.id = 149577
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 = 149577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=149577&filter.purchasability=annotated

Embed Link to Results