UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39887073
39887073
39887074
39887074
39887075
39887075
39887076
39887076
39887077
39887077

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Popular Name: 9-methyl-5-(o-tolyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile 9-methyl-5-(o-tolyl)-2-oxo-4-sul…

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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) 3.42 8.28 -43.93 1 4 -1 56 326.445 1 ↓

Analogs

6256184
6256184
6349855
6349855
33764778
33764778
33764779
33764779
39887071
39887071

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Popular Name: 1-(3-methylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile 1-(3-methylphenyl)-4-oxo-2-sulfa…

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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) 3.67 7.44 -44.07 1 4 -1 56 312.418 1 ↓

Analogs

33732893
33732893
33764778
33764778
33764779
33764779
36635915
36635915
39887073
39887073

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Popular Name: 1-(2-methylphenyl)-4-oxo-2-sulfanyl-1,5-diazaspiro[5.5]undec-2-ene-3-carbonitrile 1-(2-methylphenyl)-4-oxo-2-sulfa…

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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 7.69 -44.09 1 4 -1 56 312.418 1 ↓

Parameters Provided:

ring.id = 101511
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 = 101511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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