UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41452821
41452821
45315550
45315550
3908679
3908679

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Popular Name: (2S)-2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-2-phenyl-acetic (2S)-2-[(5-cyclopropylisoxazole-…

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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) 1.27 6.82 -54.92 1 6 -1 95 285.279 5 ↓

Analogs

41452821
41452821
45315550
45315550
3908679
3908679

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-2-phenyl-acetic (2R)-2-[(5-cyclopropylisoxazole-…

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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) 1.27 6.89 -54.69 1 6 -1 95 285.279 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-N-methyl-isoxazole-3-carboxamide 5-cyclopropyl-N-[(2,4-difluoroph…

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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) 2.34 8.36 -10.89 0 4 0 46 292.285 4 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]isoxazole-3-carboxamide 5-cyclopropyl-N-methyl-N-[[4-(tr…

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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) 2.98 9.25 -8.32 0 4 0 46 324.302 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-[(1S)-2-hydroxy-1-phenyl-ethyl]isoxazole-3-carboxamide 5-cyclopropyl-N-[(1S)-2-hydroxy-…

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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) 1.39 3.58 -7.78 2 5 0 75 272.304 5 ↓

Analogs

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Popular Name: 5-cyclopropyl-N-[(1R)-2-hydroxy-1-phenyl-ethyl]isoxazole-3-carboxamide 5-cyclopropyl-N-[(1R)-2-hydroxy-…

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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) 1.39 3.57 -7.81 2 5 0 75 272.304 5 ↓

Analogs

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Popular Name: N-benzyl-5-cyclopropyl-N-(2-hydroxyethyl)isoxazole-3-carboxamide N-benzyl-5-cyclopropyl-N-(2-hydr…

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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) 1.45 6.5 -10.23 1 5 0 67 286.331 6 ↓

Analogs

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Popular Name: 3-[[(5-cyclopropylisoxazole-3-carbonyl)amino]methyl]benzoic 3-[[(5-cyclopropylisoxazole-3-ca…

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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) 1.73 6.45 -53.27 1 6 -1 95 285.279 5 ↓

Parameters Provided:

ring.id = 129843
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 = 129843 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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