UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8426040
8426040

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Popular Name: (2E)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-5,6-dimethyl-thiazolo[3,2-a]benzimi (2E)-2-[[4-[(4-fluorophenyl)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) 5.91 14.08 -16.33 0 5 0 53 460.53 5 ↓

Analogs

8656886
8656886

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Popular Name: (2E)-2-[[4-(m-tolylmethoxy)phenyl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[[4-(m-tolylmethoxy)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) 5.78 13.39 -15.47 0 4 0 44 398.487 4 ↓

Analogs

8442159
8442159

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Popular Name: (2Z)-2-[(4-benzyloxy-2-bromo-5-methoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(4-benzyloxy-2-bromo-5-m…

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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) 5.69 12.89 -13.03 0 5 0 53 493.382 5 ↓

Analogs

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Popular Name: 3-[[4-[(E)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic 3-[[4-[(E)-(1-oxothiazolo[3,2-a]…

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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) 5.25 12.34 -62.4 0 6 -1 84 427.461 5 ↓

Parameters Provided:

ring.id = 52433
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 = 52433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=52433&filter.purchasability=annotated

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