UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(2-chloro-5-nitro-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(2-chloro-5-nitro-phenyl)meth…

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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) 2.97 8.87 -14.99 0 6 0 81 321.745 3 ↓

Analogs

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Popular Name: 3-[(2-fluoro-6-nitro-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(2-fluoro-6-nitro-phenyl)meth…

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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) 2.43 8.35 -13.87 0 6 0 81 305.29 3 ↓

Analogs

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Popular Name: 2-ethylsulfanyl-3-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-one 2-ethylsulfanyl-3-[(2-fluorophen…

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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) 3.82 9.38 -15.2 0 3 0 35 320.414 4 ↓

Analogs

48388791
48388791
16331297
16331297
9376608
9376608
11652074
11652074
9499367
9499367

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Popular Name: 3-[(3-aminophenyl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(3-aminophenyl)methyl]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) 1.46 6.05 -14.9 2 4 0 61 257.318 2 ↓

Analogs

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Popular Name: 3-[(5-amino-2-methoxy-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(5-amino-2-methoxy-phenyl)met…

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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) 1.47 5.38 -12.48 2 5 0 70 287.344 3 ↓

Analogs

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Popular Name: 3-[(3-amino-4-methoxy-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(3-amino-4-methoxy-phenyl)met…

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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) 1.88 5.47 -16.15 2 5 0 70 287.344 3 ↓

Analogs

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Popular Name: 3-[(4-aminophenyl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(4-aminophenyl)methyl]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) 1.48 6.06 -15.27 2 4 0 61 257.318 2 ↓

Analogs

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Popular Name: 4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzoic 4-[(4-oxothieno[3,2-d]pyrimidin-…

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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) 2.32 8.75 -61.92 0 5 -1 75 285.304 3 ↓

Analogs

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Popular Name: 3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzoic 3-[(4-oxothieno[3,2-d]pyrimidin-…

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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) 2.29 8.74 -73.88 0 5 -1 75 285.304 3 ↓

Parameters Provided:

ring.id = 124220
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 = 124220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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