UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8979436
8979436

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Popular Name: N-(ethyl-oxo-BLAHyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(ethyl-oxo-BLAHyl)-1-(p-tolyls…

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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) 4.10 -4.27 -21.36 1 7 0 88 463.559 5 ↓

Analogs

8979434
8979434

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Popular Name: N-(ethyl-oxo-BLAHyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(ethyl-oxo-BLAHyl)-1-(p-tolyls…

Find On: PubMed — Wikipedia — Google

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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) 4.10 -3.54 -27.27 1 7 0 88 463.559 5 ↓

Analogs

8979470
8979470

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Popular Name: N-(butyl-oxo-BLAHyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(butyl-oxo-BLAHyl)-1-(p-tolyls…

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) 5.16 -3.67 -26.33 1 7 0 88 491.613 7 ↓

Analogs

8979469
8979469

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Popular Name: N-(butyl-oxo-BLAHyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide N-(butyl-oxo-BLAHyl)-1-(p-tolyls…

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) 5.16 -3.36 -26.99 1 7 0 88 491.613 7 ↓

Parameters Provided:

ring.id = 6056
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 = 6056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6056&filter.purchasability=annotated

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