UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine N-[(1S)-1-cyclopentylethyl]-5,6-…

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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) 3.99 9.82 -7.4 1 3 0 38 275.421 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine N-[(1R)-1-cyclopentylethyl]-5,6-…

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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) 3.99 9.66 -7.42 1 3 0 38 275.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentylethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1S)-1-cyclopentylethyl]thien…

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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) 3.39 8.06 -6.84 1 3 0 38 247.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopentylethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1R)-1-cyclopentylethyl]thien…

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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) 3.39 8.02 -6.89 1 3 0 38 247.367 3 ↓

Analogs

37984145
37984145
44509225
44509225

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Popular Name: N-(cyclopentylmethyl)thieno[2,3-d]pyrimidin-4-amine N-(cyclopentylmethyl)thieno[2,3-…

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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) 3.06 7.33 -6.94 1 3 0 38 233.34 3 ↓

Analogs

44509187
44509187

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Popular Name: N-(cyclopentylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine N-(cyclopentylmethyl)-5,6-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) 3.66 8.93 -7.51 1 3 0 38 261.394 3 ↓

Analogs

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Popular Name: N-[[1-(dimethylamino)cyclopentyl]methyl]thieno[2,3-d]pyrimidin-4-amine N-[[1-(dimethylamino)cyclopentyl…

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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) 2.78 8.08 -42.65 2 4 1 42 277.417 4 ↓

Parameters Provided:

ring.id = 533999
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 = 533999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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