UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

22835064
22835064
6706425
6706425

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Popular Name: 5-chloro-N-(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)thiophene-2-sulfonamide 5-chloro-N-(5-isopropyl-1-methyl…

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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) 3.90 7.52 -19.6 1 6 0 73 411.936 5 ↓
Hi High (pH 8-9.5) 3.90 7.58 -54.32 0 6 -1 75 410.928 5 ↓

Analogs

22835064
22835064

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-thiophene-2-sulfonamide N-(5-isopropyl-1-methyl-3-oxo-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.32 7.73 -22 1 6 0 73 391.518 5 ↓
Hi High (pH 8-9.5) 3.32 7.78 -60.94 0 6 -1 75 390.51 5 ↓

Parameters Provided:

ring.id = 147833
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 = 147833 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=147833&filter.purchasability=annotated

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