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Analogs

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

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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) 2.94 8.92 -8.79 1 3 0 38 322.48 2 ↓
Hi High (pH 8-9.5) 3.40 8.14 -36.38 0 3 -1 41 321.472 2 ↓

Analogs

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

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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) 2.94 8.95 -9.2 1 3 0 38 322.48 2 ↓
Hi High (pH 8-9.5) 3.40 8.01 -38.86 0 3 -1 41 321.472 2 ↓

Analogs

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

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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) 2.34 7.56 -11.21 1 3 0 38 294.426 2 ↓
Hi High (pH 8-9.5) 2.80 6.53 -37.84 0 3 -1 41 293.418 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.34 7.59 -10.76 1 3 0 38 294.426 2 ↓
Hi High (pH 8-9.5) 2.80 6.55 -37.42 0 3 -1 41 293.418 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 2.79 9.08 -12.54 1 3 0 38 322.48 2 ↓
Hi High (pH 8-9.5) 3.25 7.93 -40.83 0 3 -1 41 321.472 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 2.79 9.05 -12.34 1 3 0 38 322.48 2 ↓
Hi High (pH 8-9.5) 3.25 7.99 -40.22 0 3 -1 41 321.472 2 ↓

Parameters Provided:

ring.id = 212082
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 = 212082 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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