UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,3-dimethyl-5-(p-tolylsulfanyl)-1,4-benzoquinone 2,3-dimethyl-5-(p-tolylsulfanyl)…

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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) 3.65 8.84 -6.2 0 2 0 34 258.342 2 ↓

Analogs

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Popular Name: 5-(4-chlorophenyl)sulfanyl-2,3-dimethyl-1,4-benzoquinone 5-(4-chlorophenyl)sulfanyl-2,3-d…

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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) 3.88 8.69 -5.71 0 2 0 34 278.76 2 ↓

Analogs

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Popular Name: 5-(2,4-difluorophenyl)sulfanyl-2,3-dimethyl-1,4-benzoquinone 5-(2,4-difluorophenyl)sulfanyl-2…

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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) 3.46 8.2 -6.09 0 2 0 34 280.295 2 ↓

Analogs

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Popular Name: 5-(3-chlorophenyl)sulfanyl-2,3-dimethyl-1,4-benzoquinone 5-(3-chlorophenyl)sulfanyl-2,3-d…

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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) 3.86 8.68 -6.36 0 2 0 34 278.76 2 ↓

Analogs

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Popular Name: 5-(4-fluorophenyl)sulfanyl-2,3-dimethyl-1,4-benzoquinone 5-(4-fluorophenyl)sulfanyl-2,3-d…

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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) 3.37 8.23 -6.08 0 2 0 34 262.305 2 ↓

Analogs

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Popular Name: 5-(4-methoxyphenyl)sulfanyl-2,3-dimethyl-1,4-benzoquinone 5-(4-methoxyphenyl)sulfanyl-2,3-…

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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) 3.26 7.47 -7.04 0 3 0 43 274.341 3 ↓

Parameters Provided:

ring.id = 197322
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 = 197322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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