UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide 2-[4-(benzenesulfonamido)phenyl]…

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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) 3.32 8.96 -29.07 2 8 0 108 480.571 8 ↓
Mid Mid (pH 6-8) 3.32 8.99 -63.61 1 8 -1 110 479.563 8 ↓

Analogs

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Popular Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-(p-tolylsulfonylamino)phenyl]sulfanyl-acetamide N-(5-oxo-1-phenyl-4H-pyrazol-3-y…

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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) 3.77 9.55 -29.25 2 8 0 108 494.598 8 ↓
Mid Mid (pH 6-8) 3.77 9.67 -63.65 1 8 -1 110 493.59 8 ↓

Analogs

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Popular Name: (2R)-2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide (2R)-2-[4-(benzenesulfonamido)ph…

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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) 3.68 9.41 -27.54 2 8 0 108 494.598 8 ↓
Hi High (pH 8-9.5) 3.87 7.7 -110.36 0 8 -2 116 492.582 8 ↓
Mid Mid (pH 6-8) 3.68 9.45 -66.71 1 8 -1 110 493.59 8 ↓

Analogs

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Popular Name: (2S)-2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide (2S)-2-[4-(benzenesulfonamido)ph…

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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) 3.68 9.4 -25.52 2 8 0 108 494.598 8 ↓
Hi High (pH 8-9.5) 3.87 7.7 -110.28 0 8 -2 116 492.582 8 ↓
Mid Mid (pH 6-8) 3.87 7.65 -44.52 1 8 -1 114 493.59 8 ↓

Parameters Provided:

ring.id = 114426
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 = 114426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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