UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidi 3-[2-[1-(2-methoxyethyl)-2,5-dim…

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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) 1.49 9.23 -64.39 0 8 -1 106 402.452 7 ↓

Analogs

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Popular Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-(1-allyl-2,5-dimethyl-pyrro…

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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) 2.15 10.76 -64.38 0 7 -1 97 384.437 6 ↓

Analogs

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Popular Name: 3-[2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-methyl-4-oxo-thieno 3-[2-[1-[(1R)-2-methoxy-1-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) 1.85 9.58 -63.83 0 8 -1 106 416.479 7 ↓

Analogs

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Popular Name: 3-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-methyl-4-oxo-thieno 3-[2-[1-[(1S)-2-methoxy-1-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) 1.85 9.56 -64.42 0 8 -1 106 416.479 7 ↓

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-[2-oxo-2-(1,2,5…

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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) 1.50 9.33 -64.82 0 7 -1 97 358.399 4 ↓

Analogs

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Popular Name: 3-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-ca 3-[2-(1-isopentyl-2,5-dimethyl-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) 3.16 12.25 -64.09 0 7 -1 97 414.507 7 ↓

Analogs

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Popular Name: 3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbo 3-[2-(2,5-dimethyl-1-propyl-pyrr…

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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) 2.38 10.96 -64.3 0 7 -1 97 386.453 6 ↓

Analogs

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Popular Name: 3-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimid 3-[2-[1-(3-methoxypropyl)-2,5-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) 1.76 10.04 -66.75 0 8 -1 106 416.479 8 ↓

Analogs

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Popular Name: 3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyr 3-[2-[2,5-dimethyl-1-(2,2,2-trif…

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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) 2.43 10.44 -67.32 0 7 -1 97 426.396 6 ↓

Analogs

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Popular Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-(1-ethyl-2,5-dimethyl-pyrro…

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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) 1.88 10.21 -64.62 0 7 -1 97 372.426 5 ↓

Analogs

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Popular Name: 3-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-ca 3-[2-(1-isopropyl-2,5-dimethyl-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) 2.24 10.46 -64.34 0 7 -1 97 386.453 5 ↓

Analogs

25148833
25148833

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Popular Name: 6-ethyl-3-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-[2-[1-(2-methoxyethyl)…

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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) 2.09 10.57 -18.39 0 6 0 66 373.478 7 ↓

Analogs

25148833
25148833

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Popular Name: 6-ethyl-3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-[2-(1-ethyl-2,5-dimeth…

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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) 2.48 11.52 -18.27 0 5 0 57 343.452 5 ↓

Parameters Provided:

ring.id = 142455
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 = 142455 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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