UCSF
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Analogs

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Popular Name: 2-[2-furylmethyl(methyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[2-furylmethyl(methyl)sulfamoy…

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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 4.91 -95.87 2 7 0 107 356.425 5 ↓
Hi High (pH 8-9.5) 1.12 3.55 -69.74 1 7 -1 103 355.417 5 ↓

Analogs

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

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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) 1.44 3.56 -91.04 3 7 0 116 356.425 5 ↓
Hi High (pH 8-9.5) 1.44 2.21 -65 2 7 -1 111 355.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.44 3.59 -91.07 3 7 0 116 356.425 5 ↓
Hi High (pH 8-9.5) 1.44 2.25 -64.74 2 7 -1 111 355.417 5 ↓

Parameters Provided:

ring.id = 564175
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 = 564175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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