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Analogs

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Popular Name: 4-amino-N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1S)-1-(imidazol-1-yl…

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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) 0.81 4.57 -40.69 4 8 1 113 279.324 5 ↓
Mid Mid (pH 6-8) 0.81 4.06 -11.45 3 8 0 112 278.316 5 ↓

Analogs

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Popular Name: 4-amino-N-[(1R)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1R)-1-(imidazol-1-yl…

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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) 0.81 4.51 -39.67 4 8 1 113 279.324 5 ↓
Mid Mid (pH 6-8) 0.81 3.99 -11.58 3 8 0 112 278.316 5 ↓

Analogs

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Popular Name: 4-amino-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1S)-2-imidazol-1-yl-…

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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) -0.55 2.29 -12.43 3 8 0 112 236.235 4 ↓
Mid Mid (pH 6-8) -0.55 2.8 -40.14 4 8 1 113 237.243 4 ↓

Analogs

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Popular Name: 4-amino-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1R)-2-imidazol-1-yl-…

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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) -0.55 2.22 -12.57 3 8 0 112 236.235 4 ↓
Mid Mid (pH 6-8) -0.55 2.74 -39.19 4 8 1 113 237.243 4 ↓

Analogs

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Popular Name: 4-amino-N-(2-imidazol-1-ylethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(2-imidazol-1-ylethyl)…

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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) -0.88 1.87 -40.79 4 8 1 113 223.216 4 ↓
Mid Mid (pH 6-8) -0.88 1.36 -11.9 3 8 0 112 222.208 4 ↓

Parameters Provided:

ring.id = 122825
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 = 122825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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