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

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-2-sulfanyl-thieno[3,2-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 8.59 -7.71 1 3 0 38 294.445 1 ↓
Mid Mid (pH 6-8) 3.41 7.96 -35.7 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[3,2-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 8.49 -9.67 1 3 0 38 294.445 1 ↓
Mid Mid (pH 6-8) 3.41 7.54 -41.12 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[3,2-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 9.16 -10.19 1 3 0 38 294.445 1 ↓
Mid Mid (pH 6-8) 3.41 7.99 -42.32 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[3,2-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 8.91 -10.03 1 3 0 38 294.445 1 ↓
Mid Mid (pH 6-8) 3.41 7.79 -41.99 0 3 -1 41 293.437 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-propylcyclohexyl)-2-sulfanyl-thieno[3,2-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 9.6 -10.35 1 3 0 38 308.472 3 ↓
Mid Mid (pH 6-8) 4.18 8.45 -42.19 0 3 -1 41 307.464 3 ↓

Parameters Provided:

ring.id = 524873
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 = 524873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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