UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37506614
37506614
37506613
37506613
37506610
37506610
37506609
37506609
36829005
36829005

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Popular Name: N-(2-methoxyethyl)-6-oxo-N-[(3R)-tetrahydrothiophen-3-yl]-1H-pyridine-3-sulfonamide N-(2-methoxyethyl)-6-oxo-N-[(3R)…

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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) 0.47 2.12 -14.34 1 6 0 79 318.42 6 ↓
Hi High (pH 8-9.5) 0.93 0 -45.56 0 6 -1 83 317.412 6 ↓

Analogs

37506614
37506614
37506613
37506613
37506610
37506610
37506609
37506609
36829005
36829005

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-6-oxo-N-[(3S)-tetrahydrothiophen-3-yl]-1H-pyridine-3-sulfonamide N-(2-methoxyethyl)-6-oxo-N-[(3S)…

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) 0.47 2 -15.51 1 6 0 79 318.42 6 ↓
Hi High (pH 8-9.5) 0.93 -0.51 -45.94 0 6 -1 83 317.412 6 ↓

Parameters Provided:

ring.id = 582592
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 = 582592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=582592&filter.purchasability=annotated

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