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Analogs

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Popular Name: (2R)-N-(5-oxo-1,4-dihydroimidazol-2-yl)-1-propanoyl-piperidine-2-carboxamide (2R)-N-(5-oxo-1,4-dihydroimidazo…

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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) -0.39 1.71 -50.59 1 7 -1 97 265.293 2 ↓
Lo Low (pH 4.5-6) -0.58 4.04 -31.02 2 7 0 91 266.301 3 ↓

Analogs

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Popular Name: (2S)-N-(5-oxo-1,4-dihydroimidazol-2-yl)-1-propanoyl-piperidine-2-carboxamide (2S)-N-(5-oxo-1,4-dihydroimidazo…

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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) -0.39 1.7 -50.72 1 7 -1 97 265.293 2 ↓
Lo Low (pH 4.5-6) -0.58 4.02 -30.41 2 7 0 91 266.301 3 ↓

Analogs

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Popular Name: (3S)-N-(5-oxo-1,4-dihydroimidazol-2-yl)-1-propanoyl-piperidine-3-carboxamide (3S)-N-(5-oxo-1,4-dihydroimidazo…

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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) -0.52 0.64 -46.92 1 7 -1 97 265.293 2 ↓
Lo Low (pH 4.5-6) -0.70 2.91 -23.76 2 7 0 91 266.301 3 ↓

Analogs

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Popular Name: (3R)-N-(5-oxo-1,4-dihydroimidazol-2-yl)-1-propanoyl-piperidine-3-carboxamide (3R)-N-(5-oxo-1,4-dihydroimidazo…

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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) -0.52 0.66 -46.86 1 7 -1 97 265.293 2 ↓
Lo Low (pH 4.5-6) -0.70 2.9 -23.79 2 7 0 91 266.301 3 ↓

Analogs

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Popular Name: (2S)-2-(3-cyanophenoxy)-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide (2S)-2-(3-cyanophenoxy)-N-(5-oxo…

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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) 0.26 2.23 -39.63 1 7 -1 110 271.256 3 ↓

Analogs

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Popular Name: (2R)-2-(3-cyanophenoxy)-N-(5-oxo-1,4-dihydroimidazol-2-yl)propanamide (2R)-2-(3-cyanophenoxy)-N-(5-oxo…

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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) 0.26 2.22 -39.69 1 7 -1 110 271.256 3 ↓

Analogs

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Popular Name: 5-methoxy-2-nitro-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide 5-methoxy-2-nitro-N-(5-oxo-1,4-d…

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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) 0.14 1.37 -47.98 1 9 -1 132 277.216 3 ↓
Lo Low (pH 4.5-6) -0.05 3.7 -30 2 9 0 126 278.224 4 ↓

Analogs

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Popular Name: 5-[(2-methoxyphenoxy)methyl]-N-(5-oxo-1,4-dihydroimidazol-2-yl)furan-2-carboxamide 5-[(2-methoxyphenoxy)methyl]-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) 0.96 2.13 -47.55 1 8 -1 108 328.304 5 ↓
Lo Low (pH 4.5-6) 0.77 4.1 -15.5 2 8 0 102 329.312 5 ↓

Analogs

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Popular Name: 4-(cyclopentanecarbonylamino)-N-(5-oxo-1,4-dihydroimidazol-2-yl)cyclohexanecarboxamide 4-(cyclopentanecarbonylamino)-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) 0.67 2.51 -38.79 2 7 -1 106 319.385 3 ↓
Lo Low (pH 4.5-6) 0.49 4.76 -29.37 3 7 0 100 320.393 4 ↓

Analogs

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Popular Name: (4S)-3-(3,3-dimethylbutanoyl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)thiazolidine-4-carboxamide (4S)-3-(3,3-dimethylbutanoyl)-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) 0.17 2.42 -43.78 1 7 -1 97 311.387 3 ↓

Analogs

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Popular Name: (4R)-3-(3,3-dimethylbutanoyl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)thiazolidine-4-carboxamide (4R)-3-(3,3-dimethylbutanoyl)-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) 0.17 2.57 -42.2 1 7 -1 97 311.387 3 ↓

Analogs

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Popular Name: 3-fluoro-4-iodo-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide 3-fluoro-4-iodo-N-(5-oxo-1,4-dih…

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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) 1.37 2.13 -35.33 1 5 -1 77 346.079 1 ↓
Lo Low (pH 4.5-6) 1.18 4.22 -20.92 2 5 0 71 347.087 2 ↓

Parameters Provided:

ring.id = 171894
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 = 171894 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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