UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7123308
7123308
17286428
17286428

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Popular Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(4-iodophenyl)-methyl]-5,5-dimethyl-cyclohexane-1,3 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) 5.17 12.95 -114.36 0 4 -2 80 492.353 3 ↓
Mid Mid (pH 6-8) 5.17 11.61 -38.56 1 4 -1 77 493.361 3 ↓
Mid Mid (pH 6-8) 5.17 10.73 -35.85 1 4 -1 77 493.361 3 ↓

Analogs

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Popular Name: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(2-methoxyphenyl)-methyl]-5,5-dimethyl-cyclohexane- 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) 3.62 10.27 -122.98 0 5 -2 89 396.483 4 ↓
Mid Mid (pH 6-8) 3.62 9.81 -44.72 1 5 -1 87 397.491 4 ↓
Mid Mid (pH 6-8) 3.04 10.93 -47.48 0 5 -1 84 397.491 4 ↓

Analogs

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Popular Name: 1,3-cyclohexanedione, 2-[(2-chloro-4,5-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl- 1,3-cyclohexanedione, 2-[(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) 3.87 11.19 -112.03 0 6 -2 99 460.954 5 ↓
Mid Mid (pH 6-8) 3.28 11.15 -42.57 0 6 -1 93 461.962 5 ↓
Mid Mid (pH 6-8) 3.87 10.08 -42.48 1 6 -1 96 461.962 5 ↓

Parameters Provided:

ring.id = 249361
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 = 249361 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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