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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: N-[4-[[(3R)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]sulfamoyl]phenyl]acetamide N-[4-[[(3R)-4-cyano-5-methyl-2-o…

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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) 0.86 0.61 -28.32 1 8 0 131 401.346 5 ↓
Mid Mid (pH 6-8) 0.86 -0.36 -18.6 2 8 0 128 402.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]sulfamoyl]phenyl]acetamide N-[4-[[(3S)-4-cyano-5-methyl-2-o…

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) 0.86 1.15 -29.12 1 8 0 131 401.346 5 ↓
Mid Mid (pH 6-8) 0.86 1.06 -23.85 2 8 0 128 402.354 5 ↓

Parameters Provided:

ring.id = 424054
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 = 424054 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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