UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2785892
2785892
2785559
2785559

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Popular Name: 2-[[(4E)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl]thio]acetic-a 2-[[(4E)-1-cyclohexyl-4-[(1,3-di…

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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) 2.82 1.36 -11.13 0 7 0 79 390.509 7 ↓

Analogs

2785650
2785650
2785657
2785657

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Popular Name: 2-[[(4E)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl]thio]acetamid 2-[[(4E)-1-cyclohexyl-4-[(1,3-di…

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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) 1.32 -2.65 -14.14 2 7 0 95 361.471 5 ↓

Analogs

18217690
18217690

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Popular Name: (5Z)-3-cyclohexyl-5-[(1,3-dimethylpyrazol-4-yl)methylene]-2-mercapto-2-imidazolin-4-one (5Z)-3-cyclohexyl-5-[(1,3-dimeth…

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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) 2.38 7.78 -10.45 0 5 0 53 304.419 2 ↓

Parameters Provided:

ring.id = 235306
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 = 235306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=235306&filter.purchasability=annotated

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