UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16584327
16584327
3266552
3266552
617734
617734

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Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide N-(6-methyl-1,3-benzothiazol-2-y…

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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) 2.01 7.94 -39.74 1 5 0 67 331.422 4 ↓

Analogs

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Popular Name: (2S)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide (2S)-N-(6-fluoro-1,3-benzothiazo…

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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) 2.09 8.11 -23.96 1 5 0 67 349.412 4 ↓
Hi High (pH 8-9.5) 2.27 6.35 -63.4 0 5 -1 74 348.404 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide (2R)-N-(6-fluoro-1,3-benzothiazo…

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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) 2.09 8.1 -23.86 1 5 0 67 349.412 4 ↓
Hi High (pH 8-9.5) 2.27 6.33 -63.63 0 5 -1 74 348.404 4 ↓

Parameters Provided:

ring.id = 257758
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 = 257758 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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