UCSF
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Analogs

12921268
12921268
12986808
12986808

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Popular Name: (4Z)-2-(3,5-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylene]oxazol-5-one (4Z)-2-(3,5-dimethylphenyl)-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) 2.96 8.63 -11.49 0 5 0 61 309.369 2 ↓

Analogs

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Popular Name: (4E)-4-[(1-acetyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-(3,4,5-trimethoxyphenyl)oxazol-5-one (4E)-4-[(1-acetyl-3,5-dimethyl-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) 2.02 5.66 -13.34 0 9 0 106 399.403 5 ↓

Analogs

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Popular Name: (4Z)-4-[(1-acetyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-(o-tolyl)oxazol-5-one (4Z)-4-[(1-acetyl-3,5-dimethyl-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) 2.79 8.48 -9.26 0 6 0 78 323.352 2 ↓

Analogs

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Popular Name: (4Z)-4-[(1-acetyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-(2-fluorophenyl)oxazol-5-one (4Z)-4-[(1-acetyl-3,5-dimethyl-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) 2.50 7.97 -11.29 0 6 0 78 327.315 2 ↓

Analogs

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Popular Name: (4E)-4-[(1-acetyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-(2-ethoxyphenyl)oxazol-5-one (4E)-4-[(1-acetyl-3,5-dimethyl-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) 2.77 7.22 -12.66 0 7 0 87 353.378 4 ↓

Analogs

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Popular Name: (4E)-4-[(1-acetyl-3,5-dimethyl-pyrazol-4-yl)methylene]-2-(3-methoxyphenyl)oxazol-5-one (4E)-4-[(1-acetyl-3,5-dimethyl-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) 2.42 5.91 -12.45 0 7 0 87 339.351 3 ↓

Analogs

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Popular Name: N-[4-[(4E)-4-[(1-methylpyrazol-4-yl)methylene]-5-oxo-oxazol-2-yl]phenyl]acetamide N-[4-[(4E)-4-[(1-methylpyrazol-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) 0.91 4.2 -21.7 1 7 0 90 310.313 3 ↓

Analogs

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Popular Name: (4E)-2-(4-methoxy-3-nitro-phenyl)-4-[(1-methylpyrazol-4-yl)methylene]oxazol-5-one (4E)-2-(4-methoxy-3-nitro-phenyl…

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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) 1.63 6.1 -17.22 0 9 0 116 328.284 4 ↓

Parameters Provided:

ring.id = 234719
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 = 234719 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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