UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-6-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(3,5-dimethylisoxazol-4-yl)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) 2.15 -2.19 -13.53 0 7 0 86 359.407 3 ↓

Analogs

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Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-8-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline 1-(3,5-dimethylisoxazol-4-yl)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) 2.13 -1.85 -19.76 0 7 0 86 359.407 3 ↓

Analogs

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Popular Name: 6-chloro-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline 6-chloro-1-(3,5-dimethylisoxazol…

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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) 2.77 -2.35 -12.45 0 6 0 76 363.826 2 ↓

Analogs

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Popular Name: 8-chloro-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline 8-chloro-1-(3,5-dimethylisoxazol…

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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) 2.75 -1.98 -18.82 0 6 0 76 363.826 2 ↓

Parameters Provided:

ring.id = 81213
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 = 81213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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