UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39264641
39264641

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Popular Name: N-(4-hydroxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide N-(4-hydroxyphenyl)-2-thieno[3,2…

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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) 2.34 4.14 -14.32 2 5 0 75 317.395 4 ↓

Analogs

9385357
9385357
82184
82184
26956754
26956754
26956770
26956770

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Popular Name: 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-N-(o-tolyl)acetamide 2-(7-methylthieno[3,2-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) 3.60 8.6 -12.32 1 4 0 55 329.45 4 ↓

Analogs

9385357
9385357
22069205
22069205
82184
82184
14017980
14017980

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Popular Name: N-(4-fluorophenyl)-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-acetamide N-(4-fluorophenyl)-2-(7-methylth…

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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) 3.36 7.77 -12.68 1 4 0 55 333.413 4 ↓

Analogs

58344324
58344324
9385357
9385357
82184
82184
22069205
22069205
14017980
14017980

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-N-phenyl-acetamide 2-(7-methylthieno[3,2-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) 3.20 7.71 -12.33 1 4 0 55 315.423 4 ↓

Parameters Provided:

ring.id = 185770
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 = 185770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=185770&filter.purchasability=annotated

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