UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-1-thieno[2,3-d]pyrimidin-4-yl-pyrazol-3-amine 4-chloro-1-thieno[2,3-d]pyrimidi…

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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) 1.78 5.59 -7.73 2 5 0 70 251.702 1 ↓

Analogs

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Popular Name: 4-methyl-1-thieno[2,3-d]pyrimidin-4-yl-pyrazol-3-amine 4-methyl-1-thieno[2,3-d]pyrimidi…

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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) 1.55 5.77 -9.4 2 5 0 70 231.284 1 ↓

Analogs

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Popular Name: 4-(3-carbamoylpyrazol-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic 4-(3-carbamoylpyrazol-1-yl)-5-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) 0.81 4.24 -46.02 2 8 -1 127 302.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-carbamoylpyrazol-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic 4-(4-carbamoylpyrazol-1-yl)-5-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) 0.50 4.29 -49.98 2 8 -1 127 302.295 3 ↓

Parameters Provided:

ring.id = 444896
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 = 444896 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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