UCSF
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Analogs

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Popular Name: 2-(2,5-dimethoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(2,5-dimethoxyphenyl)-3H-thien…

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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) 2.90 4.73 -14.02 1 5 0 64 288.328 3 ↓
Hi High (pH 8-9.5) 3.36 3 -58.13 0 5 -1 67 287.32 3 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(2,4-dichlorophenyl)-3H-thieno…

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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) 4.14 7.1 -10.87 1 3 0 46 297.166 1 ↓
Mid Mid (pH 6-8) 4.60 5.28 -47.43 0 3 -1 49 296.158 1 ↓

Analogs

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Popular Name: 2-(3,4,5-trifluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(3,4,5-trifluorophenyl)-3H-thi…

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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) 3.21 5.83 -10.91 1 3 0 46 282.246 1 ↓
Mid Mid (pH 6-8) 3.66 4.01 -43.26 0 3 -1 49 281.238 1 ↓

Analogs

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Popular Name: 2-(2-bromophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(2-bromophenyl)-3H-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) 3.62 6.78 -12.05 1 3 0 46 307.172 1 ↓
Mid Mid (pH 6-8) 4.08 5.36 -52.74 0 3 -1 49 306.164 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,5-difluorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one 2-(3,5-difluorophenyl)-3H-thieno…

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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) 3.12 5.79 -9.99 1 3 0 46 264.256 1 ↓
Mid Mid (pH 6-8) 3.57 3.96 -46.86 0 3 -1 49 263.248 1 ↓

Parameters Provided:

ring.id = 304331
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 = 304331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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