UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-N,N-dimethyl-3-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]thiazolidine-4-carboxamide (4R)-N,N-dimethyl-3-[(4R)-2-oxo-…

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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) -0.21 4.61 -22.64 1 6 0 70 333.413 2 ↓

Analogs

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Popular Name: (4S)-N,N-dimethyl-3-[(4R)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]thiazolidine-4-carboxamide (4S)-N,N-dimethyl-3-[(4R)-2-oxo-…

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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) -0.21 5.83 -21.37 1 6 0 70 333.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N,N-dimethyl-3-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]thiazolidine-4-carboxamide (4R)-N,N-dimethyl-3-[(4S)-2-oxo-…

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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) -0.21 4.53 -18.71 1 6 0 70 333.413 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N,N-dimethyl-3-[(4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]thiazolidine-4-carboxamide (4S)-N,N-dimethyl-3-[(4S)-2-oxo-…

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) -0.21 4.42 -20.35 1 6 0 70 333.413 2 ↓

Parameters Provided:

ring.id = 313907
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 = 313907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=313907&filter.purchasability=annotated

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