UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.80 4.26 -94.73 3 7 0 116 381.479 5 ↓
Hi High (pH 8-9.5) 1.80 2.91 -68.07 2 7 -1 111 380.471 5 ↓
Mid Mid (pH 6-8) 1.80 4.73 -127.66 4 7 1 117 382.487 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl(2-pyridylmethyl)sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[methyl(2-pyridylmethyl)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) 0.69 4.99 -93.05 2 7 0 107 367.452 5 ↓
Hi High (pH 8-9.5) 0.69 3.63 -67.66 1 7 -1 102 366.444 5 ↓
Mid Mid (pH 6-8) 0.69 5.62 -109.69 3 7 1 108 368.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[(3-methyl-2-pyridyl)methyl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxyli 2-[methyl-[(3-methyl-2-pyridyl)m…

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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) 1.48 5.4 -99.04 2 7 0 107 381.479 5 ↓
Hi High (pH 8-9.5) 1.48 4.06 -75.42 1 7 -1 102 380.471 5 ↓
Mid Mid (pH 6-8) 1.48 6.54 -130.07 3 7 1 108 382.487 5 ↓

Parameters Provided:

ring.id = 564771
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 = 564771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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