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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: (2R)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(3-methylisoxazol-5-yl)propanamide (2R)-2-(1-methyl-6,7-dihydro-4H-…

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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) -0.56 4.98 -44.36 2 7 1 77 290.347 3 ↓
Hi High (pH 8-9.5) -0.56 4.52 -19.57 1 7 0 76 289.339 3 ↓
Lo Low (pH 4.5-6) -0.56 6.87 -53.72 2 7 1 77 290.347 3 ↓

Analogs

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Popular Name: (2S)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(3-methylisoxazol-5-yl)propanamide (2S)-2-(1-methyl-6,7-dihydro-4H-…

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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) -0.56 5.09 -40.94 2 7 1 77 290.347 3 ↓
Hi High (pH 8-9.5) -0.56 4.62 -26.07 1 7 0 76 289.339 3 ↓
Lo Low (pH 4.5-6) -0.56 6.73 -47.99 2 7 1 77 290.347 3 ↓

Analogs

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Popular Name: N-(3-isopropylisoxazol-5-yl)-2-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)aceta N-(3-isopropylisoxazol-5-yl)-2-(…

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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) 2.52 6.28 -26.08 1 7 0 76 345.447 5 ↓
Mid Mid (pH 6-8) 2.52 6.84 -38.63 2 7 1 77 346.455 5 ↓
Lo Low (pH 4.5-6) 2.52 8.41 -59.16 2 7 1 77 346.455 5 ↓

Analogs

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Popular Name: N-(3-tert-butylisoxazol-5-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide N-(3-tert-butylisoxazol-5-yl)-2-…

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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) 1.20 6.5 -41.36 2 7 1 77 318.401 4 ↓
Hi High (pH 8-9.5) 1.20 6.03 -25.9 1 7 0 76 317.393 4 ↓
Lo Low (pH 4.5-6) 1.20 8.17 -59.16 2 7 1 77 318.401 4 ↓

Parameters Provided:

ring.id = 355472
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 = 355472 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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