UCSF
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Analogs

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Popular Name: 1-ethyl-3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-3-methyl-N-[(1,3,5-trime…

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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) 0.88 6.44 -10.77 1 7 0 73 299.382 4 ↓
Lo Low (pH 4.5-6) 0.88 6.57 -37.83 2 7 1 75 300.39 4 ↓

Analogs

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Popular Name: 1-ethyl-N,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[4,3-d]pyrimidin-7-amine 1-ethyl-N,3-dimethyl-N-[(1,3,5-t…

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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) 1.13 8.19 -13.19 0 7 0 65 313.409 4 ↓
Lo Low (pH 4.5-6) 1.13 8.32 -33.8 1 7 1 66 314.417 4 ↓

Analogs

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Popular Name: 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-[(1,3,5-trimethylpyra…

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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) 0.44 4.11 -10.2 2 7 0 84 271.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine N-[(1-ethyl-3,5-dimethyl-pyrazol…

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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) 0.82 4.98 -9.84 2 7 0 84 285.355 4 ↓

Parameters Provided:

ring.id = 170959
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 = 170959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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