UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12229482
12229482
12229484
12229484
12229489
12229489

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Popular Name: 6-ethyl-2-[(5-methylisoxazole-3-carbonyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide 6-ethyl-2-[(5-methylisoxazole-3-…

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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) 0.69 -2.66 -45.06 4 7 1 103 335.409 4 ↓

Analogs

12229484
12229484
12229489
12229489
12229474
12229474

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[(5-methylisoxazole-3-carbonyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide 6-methyl-2-[(5-methylisoxazole-3…

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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) 0.32 -2.62 -46.59 4 7 1 103 321.382 3 ↓

Analogs

12229474
12229474
12229482
12229482

Draw Identity 99% 90% 80% 70%

Popular Name: 6-isopropyl-2-[(5-methylisoxazole-3-carbonyl)amino]-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxami 6-isopropyl-2-[(5-methylisoxazol…

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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) 0.99 -2.23 -43.17 4 7 1 103 349.436 4 ↓

Analogs

12229474
12229474
12229482
12229482

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-methylisoxazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[5,4-c]pyridine-3-carboxamide 2-[(5-methylisoxazole-3-carbonyl…

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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) 1.19 -2.55 -45.73 4 7 1 103 349.436 5 ↓

Parameters Provided:

ring.id = 96264
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 = 96264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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