UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-(2-methylphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(2-methylphenyl)-2-(methylthio…

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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) 4.80 5.18 -48.54 0 3 -1 49 287.389 2 ↓
Mid Mid (pH 6-8) 4.34 6.53 -13.4 1 3 0 46 288.397 2 ↓

Analogs

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Popular Name: 7-(4-methoxyphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(4-methoxyphenyl)-2-(methylthi…

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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) 4.46 3.98 -49.83 0 4 -1 58 303.388 3 ↓
Mid Mid (pH 6-8) 4.00 5.9 -10.47 1 4 0 55 304.396 3 ↓

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3,4-dimethoxyphenyl)-2-(methy…

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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) 4.05 3.89 -50.04 0 5 -1 67 333.414 4 ↓
Mid Mid (pH 6-8) 3.59 5.81 -12.61 1 5 0 64 334.422 4 ↓

Analogs

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Popular Name: 7-(3,4-diethoxyphenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3,4-diethoxyphenyl)-2-(methyl…

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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) 4.80 5.73 -49.71 0 5 -1 67 361.468 6 ↓
Mid Mid (pH 6-8) 4.34 7.66 -12.26 1 5 0 64 362.476 6 ↓

Analogs

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Popular Name: 7-(2-fluorophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(2-fluorophenyl)-2-(methylthio…

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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) 4.52 4.68 -52.76 0 3 -1 49 291.352 2 ↓
Mid Mid (pH 6-8) 4.06 6 -15.43 1 3 0 46 292.36 2 ↓

Analogs

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Popular Name: 7-(3-fluorophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3-fluorophenyl)-2-(methylthio…

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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) 4.54 4.76 -46.7 0 3 -1 49 291.352 2 ↓
Mid Mid (pH 6-8) 4.08 6.05 -14.7 1 3 0 46 292.36 2 ↓

Analogs

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Popular Name: 7-(4-fluorophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(4-fluorophenyl)-2-(methylthio…

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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) 4.56 4.75 -47.13 0 3 -1 49 291.352 2 ↓
Mid Mid (pH 6-8) 4.11 6.06 -14.72 1 3 0 46 292.36 2 ↓

Analogs

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Popular Name: 7-(2-chlorophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(2-chlorophenyl)-2-(methylthio…

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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) 5.03 5.03 -50.52 0 3 -1 49 307.807 2 ↓
Mid Mid (pH 6-8) 4.57 6.38 -14.56 1 3 0 46 308.815 2 ↓

Analogs

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Popular Name: 7-(3-chlorophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3-chlorophenyl)-2-(methylthio…

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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) 5.05 5.2 -46.63 0 3 -1 49 307.807 2 ↓
Mid Mid (pH 6-8) 4.60 6.51 -14.11 1 3 0 46 308.815 2 ↓

Analogs

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Popular Name: 7-(3,4-dichlorophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3,4-dichlorophenyl)-2-(methyl…

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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) 5.68 5.66 -44.81 0 3 -1 49 342.252 2 ↓
Mid Mid (pH 6-8) 5.23 6.96 -14.56 1 3 0 46 343.26 2 ↓

Analogs

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Popular Name: 7-(4-bromophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(4-bromophenyl)-2-(methylthio)…

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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) 5.21 5.3 -46.86 0 3 -1 49 352.258 2 ↓
Mid Mid (pH 6-8) 4.75 6.61 -14.16 1 3 0 46 353.266 2 ↓

Analogs

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Popular Name: 7-(3-bromophenyl)-2-(methylthio)thieno[3,2-d]pyrimidin-4(3H)-one 7-(3-bromophenyl)-2-(methylthio)…

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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) 5.18 5.31 -46.5 0 3 -1 49 352.258 2 ↓
Mid Mid (pH 6-8) 4.73 6.61 -14.08 1 3 0 46 353.266 2 ↓

Parameters Provided:

ring.id = 5371
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 = 5371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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