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Analogs

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Popular Name: (4-benzyl-5-methyl-oxazol-2-yl)methanamine (4-benzyl-5-methyl-oxazol-2-yl)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) 2.07 2.31 -45.15 3 3 1 54 203.265 3 ↓
Hi High (pH 8-9.5) 2.07 1.91 -7.34 2 3 0 52 202.257 3 ↓

Analogs

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Popular Name: 2-(4-benzyl-5-methyl-oxazol-2-yl)ethanamine 2-(4-benzyl-5-methyl-oxazol-2-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) 1.87 2.99 -49.58 3 3 1 54 217.292 4 ↓

Analogs

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Popular Name: 3-(4-benzyl-5-methyl-oxazol-2-yl)propan-1-amine 3-(4-benzyl-5-methyl-oxazol-2-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) 2.14 3.85 -47.22 3 3 1 54 231.319 5 ↓

Analogs

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Popular Name: 3-(4-benzyl-5-methyl-oxazol-2-yl)propanoic 3-(4-benzyl-5-methyl-oxazol-2-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) 2.58 6.4 -47.72 0 4 -1 66 244.27 5 ↓

Analogs

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Popular Name: 3-(4-benzyl-5-methyl-oxazol-2-yl)propan-1-ol 3-(4-benzyl-5-methyl-oxazol-2-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) 2.71 3.06 -10.98 1 3 0 46 231.295 5 ↓

Parameters Provided:

ring.id = 52072
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 = 52072 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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