UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36879067
36879067

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Popular Name: 5-methyl-1-tetralin-5-yl-1,2,4-triazole-3-carboxylic 5-methyl-1-tetralin-5-yl-1,2,4-t…

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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) 1.87 9.44 -61.66 0 5 -1 71 256.285 2 ↓

Analogs

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Popular Name: 5-ethyl-1-tetralin-5-yl-1,2,4-triazole-3-carboxylic 5-ethyl-1-tetralin-5-yl-1,2,4-tr…

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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) 2.44 9.96 -62.59 0 5 -1 71 270.312 3 ↓

Analogs

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Popular Name: 5-propyl-1-tetralin-5-yl-1,2,4-triazole-3-carboxylic 5-propyl-1-tetralin-5-yl-1,2,4-t…

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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) 2.95 10.74 -62.45 0 5 -1 71 284.339 4 ↓

Analogs

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Popular Name: 5-isopropyl-1-tetralin-5-yl-1,2,4-triazole-3-carboxylic 5-isopropyl-1-tetralin-5-yl-1,2,…

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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) 2.93 10.4 -63.09 0 5 -1 71 284.339 3 ↓

Parameters Provided:

ring.id = 122480
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 = 122480 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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