UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.90 9.56 -8.71 1 3 0 38 294.445 3 ↓
Hi High (pH 8-9.5) 3.36 8.6 -37.75 0 3 -1 41 293.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.90 9.5 -8.73 1 3 0 38 294.445 3 ↓
Hi High (pH 8-9.5) 3.36 8.58 -37.73 0 3 -1 41 293.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.30 8.11 -9.83 1 3 0 38 266.391 3 ↓
Hi High (pH 8-9.5) 2.76 7.06 -37.16 0 3 -1 41 265.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.30 8.12 -9.82 1 3 0 38 266.391 3 ↓
Hi High (pH 8-9.5) 2.76 7.04 -37.08 0 3 -1 41 265.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.40 10.6 -8.13 1 3 0 38 308.472 4 ↓
Hi High (pH 8-9.5) 3.86 9.63 -36.84 0 3 -1 41 307.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.40 10.57 -8.13 1 3 0 38 308.472 4 ↓
Hi High (pH 8-9.5) 3.86 9.59 -36.87 0 3 -1 41 307.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.81 9.21 -9.54 1 3 0 38 280.418 4 ↓
Hi High (pH 8-9.5) 3.26 8.12 -37.08 0 3 -1 41 279.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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) 2.81 9.16 -9.57 1 3 0 38 280.418 4 ↓
Hi High (pH 8-9.5) 3.26 8.07 -37.08 0 3 -1 41 279.41 4 ↓

Parameters Provided:

ring.id = 522461
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 = 522461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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