UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-ethyl-2-[4-[(E)-(1-methyl-4-oxo-6,7-dihydroindazol-5-ylidene)methyl]phenoxy]acetamide N-ethyl-2-[4-[(E)-(1-methyl-4-ox…

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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) 2.22 7.43 -21.77 1 6 0 73 339.395 5 ↓

Analogs

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Popular Name: 4-[3-[(E)-(1-methyl-4-oxo-6,7-dihydroindazol-5-ylidene)methyl]phenoxy]butanenitrile 4-[3-[(E)-(1-methyl-4-oxo-6,7-di…

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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) 2.44 9.29 -20.71 0 5 0 68 321.38 5 ↓

Analogs

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Popular Name: (5E)-5-[(4-ethoxy-3,5-dimethoxy-phenyl)methylene]-1-methyl-6,7-dihydroindazol-4-one (5E)-5-[(4-ethoxy-3,5-dimethoxy-…

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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) 2.68 7.83 -15.52 0 6 0 63 342.395 5 ↓

Analogs

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Popular Name: (5E)-5-[(4-chloro-3-fluoro-phenyl)methylene]-1-methyl-6,7-dihydroindazol-4-one (5E)-5-[(4-chloro-3-fluoro-pheny…

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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) 3.45 8.32 -13 0 3 0 35 290.725 1 ↓

Analogs

40116041
40116041

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Popular Name: (5E)-5-[(3,5-dimethylphenyl)methylene]-1-methyl-6,7-dihydroindazol-4-one (5E)-5-[(3,5-dimethylphenyl)meth…

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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) 3.50 9.04 -11.57 0 3 0 35 266.344 1 ↓

Analogs

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Popular Name: (5E)-5-[(3-chloro-4-hydroxy-phenyl)methylene]-1-methyl-6,7-dihydroindazol-4-one (5E)-5-[(3-chloro-4-hydroxy-phen…

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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) 3.06 5.47 -13.38 1 4 0 55 288.734 1 ↓
Hi High (pH 8-9.5) 3.06 6.24 -43.57 0 4 -1 58 287.726 1 ↓

Parameters Provided:

ring.id = 180598
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 = 180598 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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