UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methyl-3-(6-quinolyl)isoxazol-5-amine 4-methyl-3-(6-quinolyl)isoxazol-…

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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) 2.06 3.04 -10.39 2 4 0 65 225.251 1 ↓
Lo Low (pH 4.5-6) 2.06 2.92 -31.73 3 4 1 66 226.259 1 ↓

Analogs

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Popular Name: 3-(6-quinolyl)isoxazol-5-amine 3-(6-quinolyl)isoxazol-5-amine

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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) 1.68 2.43 -10.47 2 4 0 65 211.224 1 ↓
Lo Low (pH 4.5-6) 1.68 2.38 -34 3 4 1 66 212.232 1 ↓

Analogs

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Popular Name: 4-ethyl-3-(6-quinolyl)isoxazol-5-amine 4-ethyl-3-(6-quinolyl)isoxazol-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) 2.52 3.7 -11.25 2 4 0 65 239.278 2 ↓
Lo Low (pH 4.5-6) 2.52 3.67 -31.7 3 4 1 66 240.286 2 ↓

Analogs

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Popular Name: 4-isobutyl-3-(6-quinolyl)isoxazol-5-amine 4-isobutyl-3-(6-quinolyl)isoxazo…

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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) 2.91 4.87 -10.91 2 4 0 65 267.332 3 ↓
Lo Low (pH 4.5-6) 2.91 5.07 -32.1 3 4 1 66 268.34 3 ↓

Analogs

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Popular Name: 3-(6-quinolyl)isoxazole-5-carboxylic 3-(6-quinolyl)isoxazole-5-carbox…

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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) 1.89 6.32 -45.68 0 5 -1 79 239.21 2 ↓

Parameters Provided:

ring.id = 214924
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 = 214924 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=214924&filter.purchasability=annotated

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