UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5779962
5779962
4835295
4835295
4835296
4835296

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]etha 1-(5-methyl-6-thia-2-azabicyclo[…

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) 2.15 0.13 -28.9 0 4 0 45 346.477 3 ↓

Analogs

5779961
5779961
4835295
4835295
4835296
4835296

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]etha 1-(5-methyl-6-thia-2-azabicyclo[…

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) 2.15 0.1 -28.92 0 4 0 45 346.477 3 ↓

Parameters Provided:

ring.id = 2586
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 = 2586 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=2586&filter.purchasability=annotated

Embed Link to Results