UCSF
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Analogs

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Popular Name: 3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(2-furylmethyl)propanamide 3-[7-(3-fluorophenyl)-8-oxo-[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) 1.32 8.79 -24.89 1 8 0 94 381.367 6 ↓

Analogs

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Popular Name: 3-[7-(3,4-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(2-furylmethyl)propanamide 3-[7-(3,4-dimethylphenyl)-8-oxo-…

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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) 2.01 10.05 -22.93 1 8 0 94 391.431 6 ↓

Analogs

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Popular Name: 3-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]-N-(2-furylmethyl)propanamide 3-[7-(3,5-dimethylphenyl)-8-oxo-…

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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) 2.22 10.04 -22.68 1 8 0 94 391.431 6 ↓

Analogs

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Popular Name: N-(2-furylmethyl)-3-[7-(4-methoxyphenyl)-8-oxo-[1,2,4]triazolo[5,4-c]pyrazin-3-yl]propanamide N-(2-furylmethyl)-3-[7-(4-methox…

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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) 1.03 8.03 -23.99 1 9 0 104 393.403 7 ↓

Parameters Provided:

ring.id = 92830
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 = 92830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=92830&filter.purchasability=annotated

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