UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-dimethyl-3-[(3S,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide N,N-dimethyl-3-[(3S,5R)-5-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) -0.52 4.45 -21.61 0 8 0 99 340.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(3S,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide N,N-dimethyl-3-[(3S,5S)-5-methyl…

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) -0.52 4.43 -19.82 0 8 0 99 340.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(3R,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide N,N-dimethyl-3-[(3R,5R)-5-methyl…

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) -0.52 4.37 -20.11 0 8 0 99 340.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-3-[(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide N,N-dimethyl-3-[(3R,5S)-5-methyl…

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) -0.52 4.47 -24.11 0 8 0 99 340.357 3 ↓

Parameters Provided:

ring.id = 430400
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 = 430400 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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