UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39303464
39303464
39303466
39303466
34658698
34658698

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Popular Name: (2S)-1-benzoyl-N-cyclohexyl-pyrrolidine-2-carboxamide (2S)-1-benzoyl-N-cyclohexyl-pyrr…

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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) 2.31 8.71 -19.71 1 4 0 49 300.402 3 ↓

Analogs

40073334
40073334
34945610
34945610
34945611
34945611

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Popular Name: (2S)-N-cyclohexyl-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide (2S)-N-cyclohexyl-1-(3,4-dichlor…

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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) 3.59 9.69 -15.38 1 4 0 49 369.292 3 ↓

Parameters Provided:

ring.id = 51609
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 = 51609 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=51609&filter.purchasability=annotated

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