UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32093477
32093477
32093479
32093479
32096865
32096865
32096867
32096867

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Popular Name: (4S)-4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxami (4S)-4-(2,6-difluorophenyl)-3-me…

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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) 4.45 6.3 -11.08 2 4 0 62 398.434 3 ↓
Ref Reference (pH 7) 4.26 8.94 -11.81 2 4 0 58 398.434 3 ↓

Analogs

32093477
32093477
32093479
32093479
32096865
32096865
32096867
32096867

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxami (4R)-4-(2,6-difluorophenyl)-3-me…

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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) 4.45 5.71 -10.99 2 4 0 62 398.434 3 ↓
Ref Reference (pH 7) 4.26 8.31 -11.69 2 4 0 58 398.434 3 ↓

Analogs

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Popular Name: (4S,5R)-3-amino-2-(4-bromobenzoyl)-4-(4-carbomethoxyphenyl)-6-methyl-4,5-dihydrothieno[2,3-b]pyridin (4S,5R)-3-amino-2-(4-bromobenzoy…

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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) 6.15 12.14 -14.93 2 7 0 108 555.45 8 ↓

Parameters Provided:

ring.id = 12304
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 = 12304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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