UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(Phenylamino)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester 5-(Phenylamino)-1H-1,2,3-triazol…

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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) 2.35 4.83 -6.16 2 6 0 80 232.243 5 ↓
Mid Mid (pH 6-8) 2.35 4.82 -38.72 1 6 -1 78 231.235 5 ↓

Analogs

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Popular Name: 5-[(4-Chlorophenyl)amino]-1H-1,2,3-triazole-4-carboxylic acid ethyl ester 5-[(4-Chlorophenyl)amino]-1H-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) 3.03 5.35 -5.57 2 6 0 80 266.688 5 ↓
Mid Mid (pH 6-8) 3.03 5.34 -35.19 1 6 -1 78 265.68 5 ↓

Parameters Provided:

ring.id = 604913
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 = 604913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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