UCSF
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Analogs

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Popular Name: 4-(azetidin-3-yloxy)-6-ethyl-thieno[2,3-d]pyrimidine 4-(azetidin-3-yloxy)-6-ethyl-thi…

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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) 1.91 3.66 -43.47 2 4 1 52 236.32 3 ↓
Hi High (pH 8-9.5) 1.91 1.96 -6.94 1 4 0 47 235.312 3 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)thieno[2,3-d]pyrimidine 4-(azetidin-3-yloxy)thieno[2,3-d…

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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) 1.11 2.06 -44.12 2 4 1 52 208.266 2 ↓
Hi High (pH 8-9.5) 1.11 0.36 -6.4 1 4 0 47 207.258 2 ↓

Analogs

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Popular Name: 4-(azetidin-3-yloxy)-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-(azetidin-3-yloxy)-5,6-dimethy…

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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) 1.71 3.6 -44.89 2 4 1 52 236.32 2 ↓
Hi High (pH 8-9.5) 1.71 1.9 -7.3 1 4 0 47 235.312 2 ↓

Parameters Provided:

ring.id = 277574
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 = 277574 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=277574&filter.purchasability=annotated

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