UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34577474
34577474

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Popular Name: 3-(4-ethoxyphenyl)aminocyclohex-2-en-1-one 3-(4-ethoxyphenyl)aminocyclohex-…

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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) 2.93 6.44 -9.09 1 3 0 38 231.295 4 ↓

Analogs

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Popular Name: 3-(3,5-dichlorophenyl)amino-5,5-dimethyl-cyclohex-2-en-1-one 3-(3,5-dichlorophenyl)amino-5,5-…

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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) 4.44 0.79 -11.82 1 2 0 29 284.186 2 ↓

Analogs

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Popular Name: 3-(2-bromo-4-fluoro-phenyl)amino-5,5-dimethyl-cyclohex-2-en-1-one 3-(2-bromo-4-fluoro-phenyl)amino…

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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) 4.05 1.3 -7.32 1 2 0 29 312.182 2 ↓

Analogs

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Popular Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]amino-5,5-dimethyl-cyclohex-2-en-1-one 3-[4-chloro-3-(trifluoromethyl)p…

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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) 4.66 3.03 -15.91 1 2 0 29 317.738 3 ↓

Analogs

5200049
5200049
5186822
5186822

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Popular Name: 3-((4-acetylphenyl)amino)-2-chloro-5-methylcyclohex-2-en-1-one, 98% 3-((4-acetylphenyl)amino)-2-chlo…

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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) 2.97 7.79 -12.72 1 3 0 46 277.751 3 ↓

Analogs

5186822
5186822
5200028
5200028

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Popular Name: 3-((4-acetylphenyl)amino)-2-chloro-5-methylcyclohex-2-en-1-one, 98% 3-((4-acetylphenyl)amino)-2-chlo…

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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) 2.97 7.76 -12.68 1 3 0 46 277.751 3 ↓

Parameters Provided:

ring.id = 246146
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 = 246146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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