UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49248060
49248060

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Popular Name: N-butyl-5-(3-pyridyl)isoxazole-3-carboxamide N-butyl-5-(3-pyridyl)isoxazole-3…

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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 3.99 -7.28 1 5 0 68 245.282 5 ↓

Analogs

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Popular Name: N-(2-methylsulfonylethyl)-5-(3-pyridyl)isoxazole-3-carboxamide N-(2-methylsulfonylethyl)-5-(3-p…

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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) 0.10 -0.03 -19.73 1 7 0 102 295.32 5 ↓

Analogs

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Popular Name: 1-methyl-3-[[5-(3-pyridyl)isoxazole-3-carbonyl]amino]urea 1-methyl-3-[[5-(3-pyridyl)isoxaz…

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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) 0.11 -0.03 -11.66 3 8 0 109 261.241 3 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-propyl-5-(3-pyridyl)isoxazole-3-carboxamide N-(cyanomethyl)-N-propyl-5-(3-py…

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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 6.3 -12.32 0 6 0 83 270.292 5 ↓

Analogs

42384450
42384450

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Popular Name: N-(4-amino-4-oxo-butyl)-5-(3-pyridyl)isoxazole-3-carboxamide N-(4-amino-4-oxo-butyl)-5-(3-pyr…

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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) -0.02 0.04 -13.75 3 7 0 111 274.28 6 ↓

Analogs

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Popular Name: N-[(1S)-1-ethyl-2-methyl-propyl]-5-(3-pyridyl)isoxazole-3-carboxamide N-[(1S)-1-ethyl-2-methyl-propyl]…

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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) 2.69 5.09 -6.85 1 5 0 68 273.336 5 ↓

Analogs

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Popular Name: N-[(1R)-1-ethyl-2-methyl-propyl]-5-(3-pyridyl)isoxazole-3-carboxamide N-[(1R)-1-ethyl-2-methyl-propyl]…

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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) 2.69 5.36 -6.94 1 5 0 68 273.336 5 ↓

Analogs

41460854
41460854

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Popular Name: N-(3,3-dimethylbutyl)-5-(3-pyridyl)isoxazole-3-carboxamide N-(3,3-dimethylbutyl)-5-(3-pyrid…

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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) 2.68 4.86 -7.22 1 5 0 68 273.336 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-methyl-5-(3-pyridyl)isoxazole-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-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) -0.32 1.24 -15.49 2 7 0 102 260.253 4 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-5-(3-pyridyl)isoxazole-3-carboxamide N-(2-bromoallyl)-5-(3-pyridyl)is…

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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) 1.81 3.61 -7.8 1 5 0 68 308.135 4 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-N-methyl-5-(3-pyridyl)isoxazole-3-carboxamide N-[(2S)-2-cyanopropyl]-N-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) 1.48 5.79 -11.19 0 6 0 83 270.292 4 ↓

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-N-methyl-5-(3-pyridyl)isoxazole-3-carboxamide N-[(2R)-2-cyanopropyl]-N-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) 1.48 5.81 -10.8 0 6 0 83 270.292 4 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-ethyl-5-(3-pyridyl)isoxazole-3-carboxamide N-(cyanomethyl)-N-ethyl-5-(3-pyr…

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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) 1.11 5.56 -12.27 0 6 0 83 256.265 4 ↓

Parameters Provided:

ring.id = 16104
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 = 16104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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