UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3-butyl-5,6-dimethyl-4-oxo-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) 4.12 10.33 -54.27 0 6 -1 88 391.494 7 ↓

Analogs

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Popular Name: 2-[(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3-allyl-5,6-dimethyl-4-oxo-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) 3.33 9.28 -54.49 0 6 -1 88 375.451 6 ↓

Analogs

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Popular Name: 2-[(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3-allyl-6-ethyl-4-oxo-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) 3.52 9.47 -53.82 0 6 -1 88 375.451 7 ↓

Analogs

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Popular Name: 2-[(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3-allyl-4-oxo-thieno[2,3-d]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) 2.73 7.89 -54.12 0 6 -1 88 347.397 6 ↓

Analogs

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Popular Name: 2-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3-methyl-4-oxo-thieno[2,3-d]…

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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 6.4 -54.11 0 6 -1 88 321.359 4 ↓

Analogs

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Popular Name: 2-[(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3,5,6-trimethyl-4-oxo-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) 2.68 7.75 -54.58 0 6 -1 88 349.413 4 ↓

Analogs

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Popular Name: 2-[(3,5-diethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic 2-[(3,5-diethyl-6-methyl-4-oxo-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) 3.52 9.52 -54.76 0 6 -1 88 377.467 6 ↓

Analogs

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Popular Name: 2-[[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-3-carboxy 2-[[3-(3-ethoxypropyl)-5,6-dimet…

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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) 3.31 9.52 -55.04 0 7 -1 97 421.52 9 ↓

Analogs

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Popular Name: 2-[[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]furan-3-car 2-[[5-ethyl-3-(2-methoxyethyl)-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) 3.13 8.74 -56.18 0 7 -1 97 407.493 8 ↓

Analogs

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Popular Name: methyl 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) 3.30 9.04 -13.17 0 6 0 74 362.432 7 ↓

Parameters Provided:

ring.id = 117674
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 = 117674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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