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Analogs

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Popular Name: 4-chloro-2-(imidazol-1-ylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-(imidazol-1-ylmethyl)…

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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) 2.45 7.9 -9.67 0 4 0 44 278.768 2 ↓
Mid Mid (pH 6-8) 2.45 8.41 -32.43 1 4 1 45 279.776 2 ↓

Analogs

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Popular Name: 1-({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)-4-nitro-1H-imidazole 1-({4-chloro-5,6-dimethylthieno[…

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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) 2.54 9.6 -15.74 0 7 0 89 323.765 3 ↓
Lo Low (pH 4.5-6) 2.54 10.07 -42.4 1 7 1 91 324.773 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2-isopropylimidazol-1-yl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-chloro-2-[(2-isopropylimidazol…

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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) 3.60 9.69 -27.85 1 4 1 45 321.857 3 ↓
Mid Mid (pH 6-8) 3.60 8.78 -9.34 0 4 0 44 320.849 3 ↓

Parameters Provided:

ring.id = 566853
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 = 566853 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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