UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-amine 2-[(5-methyl-4H-1,2,4-triazol-3-…

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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) 1.49 4.71 -11.22 3 5 0 80 257.322 2 ↓

Analogs

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Popular Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)quinoline-4-carboxylic 2-(1H-1,2,4-triazol-5-ylsulfanyl…

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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) 2.16 7.44 -48.19 1 6 -1 95 271.281 3 ↓
Hi High (pH 8-9.5) 2.16 7.05 -96.28 0 6 -2 93 270.273 3 ↓

Parameters Provided:

ring.id = 557205
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 = 557205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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