UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40179987
40179987
40180057
40180057

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Popular Name: 5-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenyl-triazole-4-carboxamide 5-cyclopropyl-N-[(2-methoxypheny…

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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) 2.55 7.37 -10.45 1 6 0 69 348.406 6 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-N-methyl-1-phenyl-triazole-4-carboxamide 5-cyclopropyl-N-[(3-hydroxypheny…

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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) 2.29 7.12 -14.16 1 6 0 71 348.406 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenyl-triazole-4-carboxamide 5-cyclopropyl-N-[(2-hydroxypheny…

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Activity (Go SEA)

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) 2.73 8.52 -11.55 1 6 0 71 348.406 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-[(4-hydroxyphenyl)methyl]-N-methyl-1-phenyl-triazole-4-carboxamide 5-cyclopropyl-N-[(4-hydroxypheny…

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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) 2.31 7.12 -13.21 1 6 0 71 348.406 5 ↓

Parameters Provided:

ring.id = 101779
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 = 101779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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