UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-6-methoxy-2-methyl-1,1-dioxo-benzothiophen-3-imine (2S)-6-methoxy-2-methyl-1,1-diox…

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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) 1.12 0.5 -10.86 1 4 0 67 225.269 1 ↓

Analogs

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Popular Name: (2S,3E)-1,1-dioxo-N-phenyl-3-(phenylhydrazono)benzothiophene-2-carboxamide (2S,3E)-1,1-dioxo-N-phenyl-3-(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) 4.75 7.87 -17.02 2 6 0 88 391.452 4 ↓

Analogs

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Popular Name: (2R,3E)-1,1-dioxo-N-phenyl-3-(phenylhydrazono)benzothiophene-2-carboxamide (2R,3E)-1,1-dioxo-N-phenyl-3-(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) 4.75 7.84 -17.8 2 6 0 88 391.452 4 ↓

Analogs

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Popular Name: (2R)-3-imino-1,1-dioxo-benzothiophene-2-carboxamide (2R)-3-imino-1,1-dioxo-benzothio…

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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) -0.56 -1.54 -15.77 3 5 0 101 224.241 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-imino-1,1-dioxo-benzothiophene-2-carboxamide (2S)-3-imino-1,1-dioxo-benzothio…

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) -0.56 -1.54 -15.62 3 5 0 101 224.241 1 ↓

Parameters Provided:

ring.id = 40635
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 = 40635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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