UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13011925
13011925
13011926
13011926
13011927
13011927

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N'-[2-(4-chloro-2-methyl-phenoxy)acetyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3R,7aS)-N'-[2-(4-chloro-2-methy…

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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) 1.78 6.66 -18.67 2 7 0 88 397.884 5 ↓

Analogs

13011926
13011926
13011927
13011927
13011924
13011924

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N'-[2-(4-chloro-2-methyl-phenoxy)acetyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3S,7aS)-N'-[2-(4-chloro-2-methy…

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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) 1.78 6.62 -19.49 2 7 0 88 397.884 5 ↓

Analogs

13011927
13011927
13011924
13011924

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N'-[2-(4-chloro-2-methyl-phenoxy)acetyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3R,7aR)-N'-[2-(4-chloro-2-methy…

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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) 1.78 7.56 -18.73 2 7 0 88 397.884 5 ↓

Analogs

13011924
13011924

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N'-[2-(4-chloro-2-methyl-phenoxy)acetyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]th (3S,7aR)-N'-[2-(4-chloro-2-methy…

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) 1.78 6.67 -18.65 2 7 0 88 397.884 5 ↓

Parameters Provided:

ring.id = 112009
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 = 112009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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