UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-5-[(2,4-dinitroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrid (5Z)-5-[(2,4-dinitroanilino)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) 2.32 9.17 -43.31 0 12 -1 182 426.365 6 ↓

Analogs

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Popular Name: (5Z)-5-[(2,4-dinitroanilino)methylene]-4-methyl-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrid (5Z)-5-[(2,4-dinitroanilino)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) 2.32 9.18 -43.61 0 12 -1 182 426.365 6 ↓

Analogs

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Popular Name: (5Z)-4-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]methylene]-2,6-dioxo-1-[[(2S)-tetrahydrofuran-2 (5Z)-4-methyl-5-[[2-nitro-4-(tri…

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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) 3.25 9.47 -44.27 0 9 -1 136 449.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-4-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]methylene]-2,6-dioxo-1-[[(2R)-tetrahydrofuran-2 (5Z)-4-methyl-5-[[2-nitro-4-(tri…

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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) 3.25 9.48 -44.38 0 9 -1 136 449.365 6 ↓

Parameters Provided:

ring.id = 4591
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 = 4591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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