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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-tetrahydropyran-4-ylimidazole-1,5-diamine 4-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) -0.42 2.68 -31.11 5 5 1 80 183.235 1 ↓
Mid Mid (pH 6-8) -0.42 2.23 -8.05 4 5 0 79 182.227 1 ↓

Analogs

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Popular Name: 2-methyl-4-tetrahydropyran-4-yl-imidazole-1,5-diamine 2-methyl-4-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) -0.33 2.49 -27.7 5 5 1 80 197.262 1 ↓
Hi High (pH 8-9.5) -0.33 2.07 -8.4 4 5 0 79 196.254 1 ↓

Analogs

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Popular Name: 2-ethyl-4-tetrahydropyran-4-yl-imidazole-1,5-diamine 2-ethyl-4-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) 0.24 3.1 -26.96 5 5 1 80 211.289 2 ↓
Hi High (pH 8-9.5) 0.24 2.68 -8.22 4 5 0 79 210.281 2 ↓

Analogs

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Popular Name: 2-propyl-4-tetrahydropyran-4-yl-imidazole-1,5-diamine 2-propyl-4-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) 0.74 3.87 -27.24 5 5 1 80 225.316 3 ↓
Hi High (pH 8-9.5) 0.74 3.45 -8.08 4 5 0 79 224.308 3 ↓

Analogs

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Popular Name: 2-tert-butyl-4-tetrahydropyran-4-yl-imidazole-1,5-diamine 2-tert-butyl-4-tetrahydropyran-4…

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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) 1.39 4.16 -25.69 5 5 1 80 239.343 2 ↓
Hi High (pH 8-9.5) 1.39 3.75 -8 4 5 0 79 238.335 2 ↓

Analogs

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Popular Name: 2-isopropyl-4-tetrahydropyran-4-yl-imidazole-1,5-diamine 2-isopropyl-4-tetrahydropyran-4-…

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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) 0.73 3.69 -26.06 5 5 1 80 225.316 2 ↓
Hi High (pH 8-9.5) 0.73 3.14 -7.93 4 5 0 79 224.308 2 ↓

Parameters Provided:

ring.id = 26863
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 = 26863 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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