UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methyl-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-phenyl-thiazole 4-methyl-5-[(1-methyl-6,7-dihydr…

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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) 2.18 9.52 -34.62 1 4 1 35 325.461 3 ↓
Hi High (pH 8-9.5) 2.18 9.05 -14.49 0 4 0 34 324.453 3 ↓
Lo Low (pH 4.5-6) 2.18 11.74 -102.43 2 4 2 36 326.469 3 ↓

Analogs

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Popular Name: 5-[[(4R)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-(2-methoxyphenyl)thiazole 5-[[(4R)-4-ethyl-1,4,6,7-tetrahy…

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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) 3.81 8.78 -39.32 2 5 1 55 355.487 5 ↓
Hi High (pH 8-9.5) 3.81 8.3 -11.83 1 5 0 54 354.479 5 ↓
Mid Mid (pH 6-8) 3.81 9.85 -43.82 2 5 1 55 355.487 5 ↓

Analogs

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Popular Name: 5-[[(4S)-4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-2-(2-methoxyphenyl)thiazole 5-[[(4S)-4-ethyl-1,4,6,7-tetrahy…

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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) 3.81 8.7 -39.48 2 5 1 55 355.487 5 ↓
Hi High (pH 8-9.5) 3.81 8.23 -12.07 1 5 0 54 354.479 5 ↓
Mid Mid (pH 6-8) 3.81 9.9 -43.69 2 5 1 55 355.487 5 ↓

Parameters Provided:

ring.id = 350940
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 = 350940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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