UCSF
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Popular Name: (5S)-N-(4-acetamidophenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-N-(4-acetamidophenyl)-3-(5-…

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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) 2.64 6.37 -22.97 2 6 0 80 363.826 4 ↓

Analogs

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Popular Name: (5R)-N-(4-acetamidophenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-N-(4-acetamidophenyl)-3-(5-…

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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) 2.64 6.38 -24.1 2 6 0 80 363.826 4 ↓

Analogs

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Popular Name: (5S)-N-(4-acetylphenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-N-(4-acetylphenyl)-3-(5-chl…

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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) 3.33 7.88 -16.18 1 5 0 68 348.811 4 ↓

Analogs

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Popular Name: (5R)-N-(4-acetylphenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-N-(4-acetylphenyl)-3-(5-chl…

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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) 3.33 7.89 -17.23 1 5 0 68 348.811 4 ↓

Analogs

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Popular Name: (5S)-3-(5-chloro-2-thienyl)-N-(2-ethyl-6-methyl-phenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(5-chloro-2-thienyl)-N-(2…

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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) 3.76 10.04 -13.66 1 4 0 51 348.855 4 ↓

Analogs

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Popular Name: (5R)-3-(5-chloro-2-thienyl)-N-(2-ethyl-6-methyl-phenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(5-chloro-2-thienyl)-N-(2…

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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) 3.76 10.03 -14.72 1 4 0 51 348.855 4 ↓

Analogs

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Popular Name: (5S)-N-(4-carbamoylphenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-N-(4-carbamoylphenyl)-3-(5-…

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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) 2.25 4.27 -22.25 3 6 0 94 349.799 4 ↓

Analogs

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Popular Name: (5R)-N-(4-carbamoylphenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-N-(4-carbamoylphenyl)-3-(5-…

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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) 2.25 4.27 -24.28 3 6 0 94 349.799 4 ↓

Analogs

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Popular Name: (5S)-3-(5-chloro-2-thienyl)-N-(4-cyanophenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(5-chloro-2-thienyl)-N-(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) 3.18 7.85 -16.84 1 5 0 74 331.784 3 ↓

Analogs

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Popular Name: (5R)-3-(5-chloro-2-thienyl)-N-(4-cyanophenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(5-chloro-2-thienyl)-N-(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) 3.18 7.87 -17.85 1 5 0 74 331.784 3 ↓

Analogs

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Popular Name: (5S)-3-(5-chloro-2-thienyl)-N-(2,5-difluorophenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(5-chloro-2-thienyl)-N-(2…

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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) 3.68 7.65 -12.69 1 4 0 51 342.754 3 ↓

Analogs

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Popular Name: (5R)-3-(5-chloro-2-thienyl)-N-(2,5-difluorophenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(5-chloro-2-thienyl)-N-(2…

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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) 3.68 7.66 -14.09 1 4 0 51 342.754 3 ↓

Analogs

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Popular Name: (5S)-3-(5-chloro-2-thienyl)-N-(2,6-difluorophenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(5-chloro-2-thienyl)-N-(2…

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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) 3.66 7.79 -15.09 1 4 0 51 342.754 3 ↓

Analogs

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Popular Name: (5R)-3-(5-chloro-2-thienyl)-N-(2,6-difluorophenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(5-chloro-2-thienyl)-N-(2…

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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) 3.66 7.8 -16.26 1 4 0 51 342.754 3 ↓

Analogs

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Popular Name: (5S)-N-(2-carbamoylphenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-N-(2-carbamoylphenyl)-3-(5-…

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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) 2.20 4.71 -14.72 3 6 0 94 349.799 4 ↓

Analogs

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Popular Name: (5R)-N-(2-carbamoylphenyl)-3-(5-chloro-2-thienyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-N-(2-carbamoylphenyl)-3-(5-…

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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) 2.20 4.7 -15.85 3 6 0 94 349.799 4 ↓

Parameters Provided:

ring.id = 78118
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 = 78118 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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