UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2717425
2717425
9279168
9279168

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Popular Name: (NZ)-4-(cyclohexyl-methyl-sulfamoyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide (NZ)-4-(cyclohexyl-methyl-sulfam…

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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) 5.53 10 -16.85 0 9 0 118 488.591 5 ↓

Analogs

8796295
8796295
8796297
8796297
9279179
9279179

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Popular Name: (NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(cyclohexyl-methyl-sulfamoyl)benzamide (NZ)-N-(6-bromo-3-methyl-1,3-ben…

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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) 6.38 10.09 -13.28 0 6 0 72 522.49 4 ↓

Analogs

8796287
8796287
8796289
8796289

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Popular Name: (NZ)-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-(cyclohexyl-methyl-sulfamoyl)benzamide (NZ)-N-(6-chloro-3-methyl-1,3-be…

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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) 6.25 9.98 -13.42 0 6 0 72 478.039 4 ↓

Parameters Provided:

ring.id = 81570
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 = 81570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=81570&filter.purchasability=annotated

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