UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-cyclopentyl-5-ethyl-isoxazole-4-carboxylic 3-cyclopentyl-5-ethyl-isoxazole-…

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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 6.8 -43.55 0 4 -1 66 208.237 3 ↓

Analogs

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Popular Name: 3-cyclopentyl-5-propyl-isoxazole-4-carboxylic 3-cyclopentyl-5-propyl-isoxazole…

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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) 2.84 7.58 -43.76 0 4 -1 66 222.264 4 ↓

Analogs

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Popular Name: 3-cyclopentyl-5-isopropyl-isoxazole-4-carboxylic 3-cyclopentyl-5-isopropyl-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) 2.82 7.4 -44.32 0 4 -1 66 222.264 3 ↓

Analogs

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Popular Name: 5-(bromomethyl)-3-cyclopentyl-isoxazole 5-(bromomethyl)-3-cyclopentyl-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) 2.99 6.13 -6.01 0 2 0 26 230.105 2 ↓

Analogs

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Popular Name: (3-cyclopentylisoxazol-5-yl)methanamine (3-cyclopentylisoxazol-5-yl)meth…

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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) 1.47 2.79 -50.77 3 3 1 54 167.232 2 ↓
Hi High (pH 8-9.5) 1.47 2.39 -5.65 2 3 0 52 166.224 2 ↓

Parameters Provided:

ring.id = 507441
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 = 507441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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