UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[methyl-[(1S)-1-(3-pyridyl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[methyl-[(1S)-1-(3-pyridyl)eth…

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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) 1.19 5.19 -91.9 2 7 0 107 381.479 5 ↓
Hi High (pH 8-9.5) 1.19 3.83 -69.24 1 7 -1 102 380.471 5 ↓
Lo Low (pH 4.5-6) 1.19 5.65 -137.81 3 7 1 108 382.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(1R)-1-(3-pyridyl)ethyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[methyl-[(1R)-1-(3-pyridyl)eth…

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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) 1.19 5.1 -98.5 2 7 0 107 381.479 5 ↓
Hi High (pH 8-9.5) 1.19 3.74 -72.14 1 7 -1 102 380.471 5 ↓
Lo Low (pH 4.5-6) 1.19 5.56 -116.83 3 7 1 108 382.487 5 ↓

Parameters Provided:

ring.id = 558886
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 = 558886 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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