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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 2-[[(1R)-1-(5-methyl-2-furyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1R)-1-(5-methyl-2-furyl)eth…

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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) 2.53 7.49 -63.31 1 6 -1 83 284.295 4 ↓
Mid Mid (pH 6-8) 2.53 7.94 -52.57 2 6 0 84 285.303 4 ↓
Lo Low (pH 4.5-6) 2.53 8.32 -32.08 2 6 0 87 285.303 4 ↓

Analogs

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Popular Name: 2-[[(1S)-1-(5-methyl-2-furyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1S)-1-(5-methyl-2-furyl)eth…

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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) 2.53 7.49 -63.34 1 6 -1 83 284.295 4 ↓
Mid Mid (pH 6-8) 2.53 7.94 -52.6 2 6 0 84 285.303 4 ↓
Lo Low (pH 4.5-6) 2.53 7.85 -32.61 2 6 0 87 285.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furylmethylamino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2-furylmethylamino)imidazo[1,…

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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) 1.75 5.88 -61.03 1 6 -1 83 256.241 4 ↓
Mid Mid (pH 6-8) 1.75 6.32 -50.82 2 6 0 84 257.249 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(2-furyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1S)-1-(2-furyl)ethyl]amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.31 6.67 -62.4 1 6 -1 83 270.268 4 ↓
Mid Mid (pH 6-8) 2.31 7.12 -52.03 2 6 0 84 271.276 4 ↓
Lo Low (pH 4.5-6) 2.31 7.02 -32.74 2 6 0 87 271.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(2-furyl)ethyl]amino]imidazo[1,2-a]pyridine-3-carboxylic 2-[[(1R)-1-(2-furyl)ethyl]amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.31 6.67 -62.41 1 6 -1 83 270.268 4 ↓
Mid Mid (pH 6-8) 2.31 7.12 -52.05 2 6 0 84 271.276 4 ↓
Lo Low (pH 4.5-6) 2.31 7.49 -32.64 2 6 0 87 271.276 4 ↓

Parameters Provided:

ring.id = 543754
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 = 543754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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