UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

540626
540626
6461750
6461750

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Popular Name: (2R)-2-chloro-2-phenyl-1-(2,2,4,7-tetramethyl-1-quinolyl)ethanone (2R)-2-chloro-2-phenyl-1-(2,2,4,…

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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) 5.20 2.61 -8.33 0 2 0 20 339.866 2 ↓

Analogs

6461750
6461750
540625
540625

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Popular Name: (2S)-2-chloro-2-phenyl-1-(2,2,4,7-tetramethyl-1-quinolyl)ethanone (2S)-2-chloro-2-phenyl-1-(2,2,4,…

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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) 5.20 2.69 -7.1 0 2 0 20 339.866 2 ↓

Analogs

541821
541821

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Popular Name: (2R)-2-chloro-2-phenyl-1-(2,2,4,6-tetramethyl-1-quinolyl)ethanone (2R)-2-chloro-2-phenyl-1-(2,2,4,…

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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) 5.20 2.63 -8.12 0 2 0 20 339.866 2 ↓

Analogs

541820
541820

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Popular Name: (2S)-2-chloro-2-phenyl-1-(2,2,4,6-tetramethyl-1-quinolyl)ethanone (2S)-2-chloro-2-phenyl-1-(2,2,4,…

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) 5.20 2.71 -6.85 0 2 0 20 339.866 2 ↓

Parameters Provided:

ring.id = 221334
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 = 221334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221334&filter.purchasability=annotated

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