UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3412392
3412392

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Popular Name: N,N-diallyl-2-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxo-thieno[5,4-d]pyrimidin-2-yl]sulfanyl-aceta N,N-diallyl-2-[6-ethyl-3-(3-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) 5.06 13.26 -15.24 0 6 0 64 469.632 10 ↓

Analogs

20897850
20897850
3381543
3381543
3381545
3381545

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Popular Name: (2S)-2-[5-ethyl-6-methyl-3-(m-tolyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide (2S)-2-[5-ethyl-6-methyl-3-(m-to…

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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) 3.80 8.87 -16.97 2 5 0 78 387.53 5 ↓

Analogs

20897847
20897847
3381543
3381543
3381545
3381545

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Popular Name: (2R)-2-[5-ethyl-6-methyl-3-(m-tolyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide (2R)-2-[5-ethyl-6-methyl-3-(m-to…

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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) 3.80 8.87 -16.95 2 5 0 78 387.53 5 ↓

Analogs

3380939
3380939

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Popular Name: 2-[3-(2,3-dimethylphenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-methoxypropyl 2-[3-(2,3-dimethylphenyl)-5,6-di…

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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) 3.98 10.37 -17.09 1 6 0 73 445.61 8 ↓

Analogs

3470788
3470788
5859867
5859867

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Popular Name: 2-[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide 2-[(5,6-dimethyl-4-oxo-3-phenyl-…

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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) 2.08 5.44 -16.55 2 6 0 84 389.502 6 ↓

Analogs

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Popular Name: ethyl 4-[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoate ethyl 4-[(5,6-dimethyl-4-oxo-3-p…

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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) 4.07 1.51 -14.55 0 5 0 61 402.541 8 ↓

Analogs

32604765
32604765

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Popular Name: 5,6-dimethyl-2-((N'E)-N'-(1-methylpropylidene)hydrazino)-3-phenyl-thieno[3,2-e]pyrimidin-4-one 5,6-dimethyl-2-((N'E)-N'-(1-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) 4.03 12.17 -14.31 1 5 0 59 340.452 4 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-5-ethyl-6-methyl-2-(2-methylsulfonylethylsulfanyl)thieno[2,3-d]pyrimidin-4-on 3-(3,4-dimethylphenyl)-5-ethyl-6…

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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) 4.51 9.89 -22.7 0 5 0 69 436.624 6 ↓

Analogs

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Popular Name: 2-isopropylsulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one 2-isopropylsulfanyl-5,6-dimethyl…

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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) 4.34 11.35 -11 0 3 0 35 330.478 3 ↓

Parameters Provided:

ring.id = 76339
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 = 76339 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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