UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-tetrahydropyran-4-ylimidazole 1-tetrahydropyran-4-ylimidazole

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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) 0.37 5.08 -30.51 1 3 1 28 153.205 1 ↓
Mid Mid (pH 6-8) 0.37 4.57 -6.38 0 3 0 27 152.197 1 ↓

Analogs

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Popular Name: 2-methyl-1-tetrahydropyran-4-yl-imidazole 2-methyl-1-tetrahydropyran-4-yl-…

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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) 0.46 5.01 -28.58 1 3 1 28 167.232 1 ↓
Mid Mid (pH 6-8) 0.46 4.54 -6.95 0 3 0 27 166.224 1 ↓

Analogs

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Popular Name: 2-ethyl-1-tetrahydropyran-4-yl-imidazole 2-ethyl-1-tetrahydropyran-4-yl-i…

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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) 1.03 5.61 -27.84 1 3 1 28 181.259 2 ↓
Mid Mid (pH 6-8) 1.03 5.15 -6.66 0 3 0 27 180.251 2 ↓

Analogs

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Popular Name: 2-propyl-1-tetrahydropyran-4-yl-imidazole 2-propyl-1-tetrahydropyran-4-yl-…

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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) 1.53 6.39 -28.14 1 3 1 28 195.286 3 ↓
Hi High (pH 8-9.5) 1.53 5.93 -6.49 0 3 0 27 194.278 3 ↓

Parameters Provided:

ring.id = 262844
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 = 262844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=262844&filter.purchasability=annotated

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