UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methyl-2-pyridyl)-1H-triazole-4-carboxamide N-(4-methyl-2-pyridyl)-1H-triazo…

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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) 0.42 1.91 -10.71 2 6 0 84 203.205 2 ↓
Mid Mid (pH 6-8) 0.42 1.89 -40.77 1 6 -1 82 202.197 2 ↓

Analogs

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Popular Name: N-(3-methyl-2-pyridyl)-1H-triazole-4-carboxamide N-(3-methyl-2-pyridyl)-1H-triazo…

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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) 0.42 2 -11.1 2 6 0 84 203.205 2 ↓
Mid Mid (pH 6-8) 0.42 1.98 -41.5 1 6 -1 82 202.197 2 ↓

Analogs

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Popular Name: N-(6-methyl-2-pyridyl)-1H-triazole-4-carboxamide N-(6-methyl-2-pyridyl)-1H-triazo…

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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) 0.07 1.83 -11.36 2 6 0 84 203.205 2 ↓
Mid Mid (pH 6-8) 0.07 1.81 -41.7 1 6 -1 82 202.197 2 ↓

Analogs

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Popular Name: N-(6-bromo-2-pyridyl)-1H-triazole-4-carboxamide N-(6-bromo-2-pyridyl)-1H-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) 1.17 1.73 -12.52 2 6 0 84 268.074 2 ↓
Mid Mid (pH 6-8) 1.17 1.71 -41.31 1 6 -1 82 267.066 2 ↓

Parameters Provided:

ring.id = 540890
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 = 540890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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