UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11838804
11838804

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Popular Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-cyclopropane-1-car N-[[(2R)-5-(3,6-dimethylpyrazin-…

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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 -2.01 -12.37 1 5 0 64 337.423 4 ↓

Analogs

11838803
11838803

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Popular Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-cyclopropane-1-car N-[[(2S)-5-(3,6-dimethylpyrazin-…

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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 -2.05 -12.72 1 5 0 64 337.423 4 ↓

Analogs

12041552
12041552
11814544
11814544
11814545
11814545

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Popular Name: N-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclopropanecarboxamide N-[[(2S)-7-chloro-5-pyrazin-2-yl…

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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) 2.50 -3.07 -12.31 1 5 0 64 329.787 4 ↓

Analogs

12041548
12041548
11814544
11814544

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclopropanecarboxamide N-[[(2R)-7-chloro-5-pyrazin-2-yl…

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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) 2.50 -3.01 -11.95 1 5 0 64 329.787 4 ↓

Parameters Provided:

ring.id = 57894
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 = 57894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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