UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402396
12402396
2493531
2493531
2493533
2493533

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(3-thienyl)-3,4,6,8-tetrahydroquinolin (4R)-1-(5-allylsulfanyl-1,3,4-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) 3.38 1.91 -8.77 0 5 0 63 431.608 5 ↓

Analogs

12402395
12402395
2493531
2493531

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-7,7-dimethyl-4-(3-thienyl)-3,4,6,8-tetrahydroquinolin (4S)-1-(5-allylsulfanyl-1,3,4-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) 3.38 1.33 -12.57 0 5 0 63 431.608 5 ↓

Parameters Provided:

ring.id = 101136
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 = 101136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101136&filter.purchasability=annotated

Embed Link to Results