UCSF
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Analogs

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Popular Name: 7-[(1S)-1-cyclopentylethyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1S)-1-cyclopentylethyl]-2,5,…

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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 9.29 -8.89 2 4 0 57 272.396 2 ↓
Lo Low (pH 4.5-6) 3.06 9.67 -23.33 3 4 1 58 273.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-cyclopentylethyl]-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-cyclopentylethyl]-2,5,…

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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 9.23 -8.94 2 4 0 57 272.396 2 ↓
Lo Low (pH 4.5-6) 3.06 9.66 -23.2 3 4 1 58 273.404 2 ↓

Analogs

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Popular Name: 7-[(1S)-1-cyclopentylethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(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) 2.97 9.33 -8.31 2 4 0 57 258.369 2 ↓
Lo Low (pH 4.5-6) 2.97 9.73 -26.26 3 4 1 58 259.377 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(1R)-1-cyclopentylethyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[(1R)-1-cyclopentylethyl]-5,6-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.97 9.33 -8.41 2 4 0 57 258.369 2 ↓
Lo Low (pH 4.5-6) 2.97 9.73 -26.33 3 4 1 58 259.377 2 ↓

Parameters Provided:

ring.id = 534164
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 = 534164 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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