UCSF
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Analogs

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Popular Name: N-[(1S)-1-cyclopentylethyl]thieno[3,2-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 7.98 -6.7 1 3 0 38 247.367 3 ↓
Lo Low (pH 4.5-6) 3.39 8.43 -27.47 2 3 1 39 248.375 3 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopentylethyl]thieno[3,2-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 7.82 -6.68 1 3 0 38 247.367 3 ↓
Lo Low (pH 4.5-6) 3.39 8.27 -27.52 2 3 1 39 248.375 3 ↓

Analogs

37984157
37984157
44509226
44509226

Draw Identity 99% 90% 80% 70%

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

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) 3.06 7.11 -6.8 1 3 0 38 233.34 3 ↓
Lo Low (pH 4.5-6) 3.06 7.57 -27.85 2 3 1 39 234.348 3 ↓

Parameters Provided:

ring.id = 534002
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = 4add3077-5666-4d21-912d-aacbf1d9ae63

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 = 534002 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=534002&filter.purchasability=annotated

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