UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)pyrimidin-4-amine 2-(3-phenyl-6,7-dihydro-4H-isoxa…

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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 8.89 -40.16 3 6 1 82 294.338 2 ↓
Mid Mid (pH 6-8) 2.34 8.56 -10.96 2 6 0 81 293.33 2 ↓

Analogs

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Popular Name: 2-[3-(2-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine 2-[3-(2-fluorophenyl)-6,7-dihydr…

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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) 2.46 9.05 -41.75 3 6 1 82 312.328 2 ↓
Mid Mid (pH 6-8) 2.46 8.71 -14.68 2 6 0 81 311.32 2 ↓

Analogs

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Popular Name: 5-(5-ethylpyrimidin-2-yl)-3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-(5-ethylpyrimidin-2-yl)-3-(3-f…

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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) 3.60 11.27 -10.32 0 5 0 55 324.359 3 ↓

Analogs

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Popular Name: N-ethyl-2-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine N-ethyl-2-[3-(3-fluorophenyl)-6,…

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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) 3.23 10.35 -10.81 1 6 0 67 339.374 4 ↓
Mid Mid (pH 6-8) 3.23 10.69 -43.29 2 6 1 68 340.382 4 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(2-fluorophenyl)-5-pyrimidin-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) 2.63 9.97 -14.31 0 5 0 55 296.305 2 ↓

Parameters Provided:

ring.id = 559111
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 = 559111 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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