UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20613716
20613716
20613717
20613717
20613718
20613718

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Popular Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-[(3R)-2-oxotetrahydrothiophen-3-yl]pyrrolidine-3-carboxami (3S)-1-(3-chloro-4-fluoro-phenyl…

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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) 1.80 5.89 -23.8 1 5 0 66 356.806 3 ↓

Analogs

20613717
20613717
20613718
20613718
20613715
20613715

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Popular Name: (3R)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-[(3R)-2-oxotetrahydrothiophen-3-yl]pyrrolidine-3-carboxami (3R)-1-(3-chloro-4-fluoro-phenyl…

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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) 1.80 5.93 -22.2 1 5 0 66 356.806 3 ↓

Analogs

20613718
20613718
20613715
20613715
20613716
20613716

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-[(3S)-2-oxotetrahydrothiophen-3-yl]pyrrolidine-3-carboxami (3S)-1-(3-chloro-4-fluoro-phenyl…

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) 1.80 5.94 -20.7 1 5 0 66 356.806 3 ↓

Analogs

20613715
20613715
20613716
20613716
20613717
20613717

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3-chloro-4-fluoro-phenyl)-5-oxo-N-[(3S)-2-oxotetrahydrothiophen-3-yl]pyrrolidine-3-carboxami (3R)-1-(3-chloro-4-fluoro-phenyl…

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) 1.80 6.03 -30.31 1 5 0 66 356.806 3 ↓

Parameters Provided:

ring.id = 73340
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 = 73340 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=73340&filter.purchasability=annotated

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