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Analogs

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Popular Name: 2-[(R)-(5-ethyl-4-nitro-2-thienyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethyl 2-[(R)-(5-ethyl-4-nitro-2-thieny…

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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

Analogs

5383374
5383374
5383376
5383376
5383404
5383404
5383405
5383405
32006412
32006412

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Popular Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione 2-[(2-hydroxy-4,4-dimethyl-6-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) 2.35 10.33 -13.86 0 4 0 68 374.502 3 ↓
Mid Mid (pH 6-8) 2.93 10.27 -39.16 0 4 -1 74 373.494 3 ↓
Mid Mid (pH 6-8) 3.51 10.1 -37.77 1 4 -1 77 373.494 3 ↓

Analogs

5383374
5383374
5383376
5383376
5383404
5383404
5383405
5383405
8338731
8338731

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Popular Name: 2-[(5-butyl-2-thienyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-methyl]-5,5-dimethyl-cyclohexan 2-[(5-butyl-2-thienyl)-(2-hydrox…

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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) 4.20 14.8 -28.37 0 4 0 68 430.61 6 ↓
Mid Mid (pH 6-8) 5.37 14.93 -115.9 0 4 -2 80 428.594 6 ↓
Mid Mid (pH 6-8) 5.37 13.61 -56.86 1 4 -1 77 429.602 6 ↓

Parameters Provided:

ring.id = 42363
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 = 42363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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