UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[1-(tert-butylcarbamoyl)-4-piperidyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide N-[[1-(tert-butylcarbamoyl)-4-pi…

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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) 3.15 7.62 -18.22 2 7 0 79 371.485 4 ↓
Lo Low (pH 4.5-6) 3.15 8.06 -38.21 3 7 1 80 372.493 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(1-methylsulfonyl-4-piperidyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide 2-methyl-N-[(1-methylsulfonyl-4-…

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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) 1.13 4.3 -21.12 1 7 0 84 350.444 4 ↓
Lo Low (pH 4.5-6) 1.13 4.74 -41.71 2 7 1 85 351.452 4 ↓

Analogs

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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) 1.61 6.52 -17.57 1 7 0 76 330.388 4 ↓
Lo Low (pH 4.5-6) 1.61 6.96 -38.49 2 7 1 77 331.396 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-(2,2,2-trifluoroacetyl)-4-piperidyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide 2-methyl-N-[[1-(2,2,2-trifluoroa…

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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) 2.00 6.98 -16.59 1 6 0 67 368.359 4 ↓
Lo Low (pH 4.5-6) 2.00 7.42 -38.22 2 6 1 68 369.367 4 ↓

Analogs

928577
928577
928599
928599

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide N-[(1-isopropyl-4-piperidyl)meth…

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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) 2.43 8.87 -45.65 2 5 1 51 315.441 4 ↓
Lo Low (pH 4.5-6) 2.43 9.31 -78.39 3 5 2 52 316.449 4 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 1.74 7.52 -47.15 2 6 1 60 331.44 6 ↓
Lo Low (pH 4.5-6) 1.74 7.96 -79.77 3 6 2 61 332.448 6 ↓

Parameters Provided:

ring.id = 301173
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 = 301173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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