UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2R)-2-methyl-N-(1-sulfamoylindolin-6-yl)cyclopropanecarboxamide (1S,2R)-2-methyl-N-(1-sulfamoyli…

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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) 1.43 1.8 -12.93 3 6 0 93 295.364 3 ↓
Hi High (pH 8-9.5) 1.43 2.29 -45.55 2 6 -1 90 294.356 3 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-(1-sulfamoylindolin-6-yl)cyclopropanecarboxamide (1S,2S)-2-methyl-N-(1-sulfamoyli…

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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) 1.43 1.75 -13.49 3 6 0 93 295.364 3 ↓
Hi High (pH 8-9.5) 1.43 2.24 -45.77 2 6 -1 90 294.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-(1-sulfamoylindolin-6-yl)cyclopropanecarboxamide (1R,2R)-2-methyl-N-(1-sulfamoyli…

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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) 1.43 1.75 -13.51 3 6 0 93 295.364 3 ↓
Hi High (pH 8-9.5) 1.43 2.24 -45.71 2 6 -1 90 294.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-(1-sulfamoylindolin-6-yl)cyclopropanecarboxamide (1R,2S)-2-methyl-N-(1-sulfamoyli…

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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) 1.43 1.8 -12.99 3 6 0 93 295.364 3 ↓
Hi High (pH 8-9.5) 1.43 2.28 -45.56 2 6 -1 90 294.356 3 ↓

Analogs

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Popular Name: 1-cyano-N-[1-(2,2-dimethylpropanoyl)indolin-6-yl]cyclopropanecarboxamide 1-cyano-N-[1-(2,2-dimethylpropan…

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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) 2.44 7.78 -14.84 1 5 0 73 311.385 3 ↓

Analogs

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Popular Name: N-(1-acetylindolin-6-yl)-1-cyano-cyclopropanecarboxamide N-(1-acetylindolin-6-yl)-1-cyano…

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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) 0.78 6.33 -15.38 1 5 0 73 269.304 2 ↓

Parameters Provided:

ring.id = 44594
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 = 44594 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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