UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(3-isopropyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic 4-[(3-isopropyl-4-oxo-5-phenyl-t…

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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) 5.70 13.37 -54.66 0 5 -1 75 435.55 6 ↓

Analogs

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Popular Name: 4-[[5-(3,4-dimethylphenyl)-3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic 4-[[5-(3,4-dimethylphenyl)-3-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) 5.78 13.07 -56.29 0 5 -1 75 435.55 5 ↓

Analogs

8896758
8896758
8896763
8896763

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Popular Name: 4-[[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic-acid-ethyl-ester 4-[[(4-keto-6-methyl-5-phenyl-3H…

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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) 6.31 -0.31 -13.86 1 5 0 72 436.558 7 ↓

Analogs

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Popular Name: 4-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic-acid-propyl-ester 4-[[(4-keto-5-phenyl-3H-thieno[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) 6.59 -0.34 -13.65 1 5 0 72 436.558 8 ↓

Analogs

8897136
8897136

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Popular Name: 3-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic-acid-isopropyl-ester 3-[[(4-keto-5-phenyl-3H-thieno[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) 6.42 -0.16 -14.23 1 5 0 72 436.558 7 ↓

Analogs

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

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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) 6.62 0.99 -13.88 0 5 0 53 519.475 8 ↓

Parameters Provided:

ring.id = 36252
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 = 36252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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