UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-fluorophenyl)-[3-(3-fluorophenyl)-8-methyl-2-thioxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-methanone (4-fluorophenyl)-[3-(3-fluorophe…

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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) 3.84 -0.27 -3.28 0 3 0 32 398.478 2 ↓

Analogs

4891636
4891636

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Popular Name: (4-fluorophenyl)-(3-phenyl-8-tert-butyl-2-thioxo-1,4-diazaspiro[4.5]dec-3-en-1-yl)-methanone (4-fluorophenyl)-(3-phenyl-8-ter…

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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) 5.03 0.25 -3.96 0 3 0 32 422.569 3 ↓

Analogs

4891627
4891627
45932918
45932918

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Popular Name: (4-fluorophenyl)-(2-phenyl-3-thioxo-1,4-diazaspiro[4.5]dec-1-en-4-yl)-methanone (4-fluorophenyl)-(2-phenyl-3-thi…

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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) 3.93 -1.65 -7.44 0 3 0 32 366.461 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[3-(3-fluorophenyl)-8-methyl-2-thioxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]-methanone (4-chlorophenyl)-[3-(3-fluorophe…

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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) 4.35 -1.16 -2.92 0 3 0 32 414.933 2 ↓

Parameters Provided:

ring.id = 249822
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 = 249822 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=249822&filter.purchasability=annotated

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