UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21671846
21671846
21671849
21671849

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Popular Name: [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] [2-oxo-2-(2,3,4,5-tetramethylphe…

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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) 4.40 13.23 -17.55 0 6 0 78 424.522 5 ↓

Analogs

21120364
21120364

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Popular Name: [2-(4-butylphenyl)-2-oxo-ethyl] [2-(4-butylphenyl)-2-oxo-ethyl]

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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) 4.69 13.85 -17.54 0 6 0 78 424.522 8 ↓

Analogs

14241702
14241702
16658570
16658570

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Popular Name: [(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1R)-2-(3-chlorophenyl)-1-methy…

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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) 3.84 11.87 -17.81 0 6 0 78 416.886 5 ↓

Analogs

16658570
16658570
14241701
14241701

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Popular Name: [(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] [(1S)-2-(3-chlorophenyl)-1-methy…

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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) 3.84 11.85 -16.42 0 6 0 78 416.886 5 ↓

Parameters Provided:

ring.id = 108237
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 = 108237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108237&filter.purchasability=annotated

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