UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-cyclohexyl-2-[4-[[2-morpholino-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]phenyl]thieno[2,3-d]imidazol 3-cyclohexyl-2-[4-[[2-morpholino…

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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) 5.98 17.09 -54.29 1 9 0 101 600.741 8 ↓
Mid Mid (pH 6-8) 5.98 16.62 -61.64 0 9 -1 100 599.733 8 ↓

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Popular Name: methyl methyl

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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) 4.90 12.76 -12.56 0 6 0 70 398.484 6 ↓
Lo Low (pH 4.5-6) 4.90 13.25 -31.16 1 6 1 72 399.492 6 ↓

Analogs

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Popular Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-thieno[2,3-d]imidazole-5-carboxylic 2-(4-benzyloxyphenyl)-3-cyclohex…

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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) 6.74 15.22 -45.69 1 5 0 68 432.545 6 ↓
Mid Mid (pH 6-8) 6.74 14.73 -54.46 0 5 -1 67 431.537 6 ↓

Analogs

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Popular Name: 2-(dimethylamino)-3-(4-methoxyphenyl)-3H-thieno[2,3-d]imidazole-5-carboxylic acid 2-(dimethylamino)-3-(4-methoxyph…

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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) 2.82 10.41 -42.33 1 6 0 72 317.37 4 ↓
Hi High (pH 8-9.5) 2.82 9.94 -51.88 0 6 -1 70 316.362 4 ↓

Parameters Provided:

ring.id = 195744
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 = 195744 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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