UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide N-(cyclobutylmethyl)-2-(methylam…

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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) 1.68 4.13 -12.73 2 6 0 76 294.38 5 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-(ethylamino)imidazo[1,2-a]pyridine-3-sulfonamide N-(cyclobutylmethyl)-2-(ethylami…

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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) 2.06 4.96 -12.43 2 6 0 76 308.407 6 ↓

Analogs

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Popular Name: 2-amino-N-(cyclobutylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide 2-amino-N-(cyclobutylmethyl)imid…

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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) 1.31 3.11 -12.31 3 6 0 89 280.353 4 ↓

Analogs

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Popular Name: 2-chloro-N-(cyclobutylmethyl)-N-methyl-imidazo[1,2-a]pyridine-3-sulfonamide 2-chloro-N-(cyclobutylmethyl)-N-…

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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) 2.75 6.31 -13.67 0 5 0 55 313.81 4 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-2-hydrazino-N-methyl-imidazo[1,2-a]pyridine-3-sulfonamide N-(cyclobutylmethyl)-2-hydrazino…

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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) 1.31 4.65 -14.27 3 7 0 93 309.395 5 ↓
Mid Mid (pH 6-8) 1.31 4.47 -44.58 4 7 1 94 310.403 5 ↓

Analogs

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Popular Name: 2-amino-N-(cyclobutylmethyl)-N-methyl-imidazo[1,2-a]pyridine-3-sulfonamide 2-amino-N-(cyclobutylmethyl)-N-m…

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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) 1.55 4.95 -12.99 2 6 0 81 294.38 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-N-methyl-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide N-(cyclobutylmethyl)-N-methyl-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) 1.93 6.1 -13.24 1 6 0 67 308.407 5 ↓

Parameters Provided:

ring.id = 11181
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 = 11181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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