UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8919261
8919261

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Popular Name: 4-[[5-(4-fluorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic-acid-methyl-ester 4-[[5-(4-fluorophenyl)-4-keto-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) 4.69 2.95 -17.21 0 5 0 61 408.454 5 ↓

Analogs

2614638
2614638
2614641
2614641
2614642
2614642

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Popular Name: 5-(4-chlorophenyl)-3-(4-isopropylbenzyl)thieno[2,3-d]pyrimidin-4-one 5-(4-chlorophenyl)-3-(4-isopropy…

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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) 6.32 1.62 -13.21 0 3 0 34 394.927 4 ↓

Analogs

8766423
8766423
8919943
8919943

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Popular Name: 5-(4-bromophenyl)-3-(4-isopropylbenzyl)thieno[2,3-d]pyrimidin-4-one 5-(4-bromophenyl)-3-(4-isopropyl…

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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) 6.45 1.01 -13.12 0 3 0 34 439.378 4 ↓

Analogs

1945166
1945166
1945167
1945167
1945171
1945171
1945183
1945183
1945188
1945188

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

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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) 5.29 2.11 -17.06 0 5 0 53 420.534 6 ↓

Analogs

1942813
1942813
1942833
1942833
1942836
1942836

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Popular Name: 5-(4-bromophenyl)-3-(4-tert-butylbenzyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one 5-(4-bromophenyl)-3-(4-tert-buty…

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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) 6.87 1.47 -12.97 0 3 0 34 467.432 4 ↓

Analogs

2614665
2614665

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Popular Name: 3-(4-tert-butylbenzyl)-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one 3-(4-tert-butylbenzyl)-5-(4-prop…

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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) 6.77 2.23 -14.05 0 4 0 44 432.589 7 ↓

Analogs

2614638
2614638
2614641
2614641
2614642
2614642

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Popular Name: 3-(4-tert-butylbenzyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-one 3-(4-tert-butylbenzyl)-5-(4-chlo…

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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) 6.51 1.97 -13.02 0 3 0 34 408.954 4 ↓

Analogs

2614639
2614639
2614640
2614640
2614649
2614649
2614655
2614655
2614656
2614656

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Popular Name: 3-(4-tert-butylbenzyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one 3-(4-tert-butylbenzyl)-5-(4-ethy…

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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) 6.75 2.6 -13.72 0 3 0 34 402.563 5 ↓

Analogs

2614640
2614640
2614649
2614649

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Popular Name: 3-(4-tert-butylbenzyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-one 3-(4-tert-butylbenzyl)-5-(4-fluo…

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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) 6.00 2.86 -13.55 0 3 0 34 392.499 4 ↓

Parameters Provided:

ring.id = 28096
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 = 28096 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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