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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R,2S,4S)-2,4-dimethylcycloh…

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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) 3.55 9.96 -6.24 1 3 0 38 322.499 1 ↓
Hi High (pH 8-9.5) 4.01 9.51 -33.35 0 3 -1 41 321.491 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S,2S,4S)-2,4-dimethylcycloh…

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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) 3.55 10.58 -8.58 1 3 0 38 322.499 1 ↓
Hi High (pH 8-9.5) 4.01 9.61 -38.43 0 3 -1 41 321.491 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R,2S,4R)-2,4-dimethylcycloh…

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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) 3.55 10.05 -7.8 1 3 0 38 322.499 1 ↓
Hi High (pH 8-9.5) 4.01 9.13 -37.24 0 3 -1 41 321.491 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-5,6-dimethyl-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S,2S,4R)-2,4-dimethylcycloh…

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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) 3.55 10.33 -8.34 1 3 0 38 322.499 1 ↓
Hi High (pH 8-9.5) 4.01 9.42 -38.01 0 3 -1 41 321.491 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 2.95 8.62 -7.06 1 3 0 38 294.445 1 ↓
Hi High (pH 8-9.5) 3.41 8.07 -32.23 0 3 -1 41 293.437 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 2.95 8.66 -8.92 1 3 0 38 294.445 1 ↓
Hi High (pH 8-9.5) 3.41 7.61 -36.61 0 3 -1 41 293.437 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R,2R,4R)-2,4-dimethylcycloh…

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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) 2.95 9.17 -9.73 1 3 0 38 294.445 1 ↓
Hi High (pH 8-9.5) 3.41 8.08 -37.81 0 3 -1 41 293.437 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R,2R,4S)-2,4-dimethylcycloh…

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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) 2.95 8.93 -9.47 1 3 0 38 294.445 1 ↓
Hi High (pH 8-9.5) 3.41 7.89 -37.43 0 3 -1 41 293.437 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-propylcyclohexyl)-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-(4-propylcyclohexyl)-2-sulfany…

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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) 3.72 9.62 -9.81 1 3 0 38 308.472 3 ↓
Hi High (pH 8-9.5) 4.18 8.52 -37.72 0 3 -1 41 307.464 3 ↓

Parameters Provided:

ring.id = 524866
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 = 524866 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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