UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(3-fluoro-4-methoxy-phenyl)meth [3-(3,4-difluorophenyl)-6,7-dihy…

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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) 3.07 3.74 -11.63 0 5 0 56 388.345 3 ↓

Analogs

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Popular Name: (3-ethynylphenyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (3-ethynylphenyl)-[3-(3-fluoroph…

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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) 2.55 3.76 -15.68 0 4 0 46 346.361 2 ↓

Analogs

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Popular Name: (2,3-dimethoxyphenyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (2,3-dimethoxyphenyl)-[3-(3-fluo…

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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) 3.18 8.92 -19.27 0 6 0 65 382.391 4 ↓

Analogs

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Popular Name: [2-(dimethylaminomethyl)phenyl]-[3-(2-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]meth [2-(dimethylaminomethyl)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) 2.54 11.21 -42.48 1 5 1 51 380.443 4 ↓
Mid Mid (pH 6-8) 2.54 9.5 -16.02 0 5 0 50 379.435 4 ↓

Analogs

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Popular Name: (4-methoxy-3,5-dimethyl-phenyl)-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)methanone (4-methoxy-3,5-dimethyl-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) 3.48 9.79 -12.58 0 5 0 56 362.429 3 ↓

Analogs

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Popular Name: (2,6-dimethylphenyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (2,6-dimethylphenyl)-[3-(3-fluor…

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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) 3.61 10.32 -12.4 0 4 0 46 350.393 2 ↓

Analogs

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Popular Name: 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-carbonyl]benzonitrile 2-[3-(3,4-difluorophenyl)-6,7-di…

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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 9.47 -22.47 0 5 0 70 365.339 2 ↓

Analogs

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Popular Name: [2-(dimethylaminomethyl)phenyl]-(3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)methanone [2-(dimethylaminomethyl)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) 2.42 11.02 -40.72 1 5 1 51 362.453 4 ↓
Mid Mid (pH 6-8) 2.42 8.43 -12.69 0 5 0 50 361.445 4 ↓

Analogs

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Popular Name: [3-(4-chlorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(2-hydroxy-4-methyl-phenyl)methanon [3-(4-chlorophenyl)-6,7-dihydro-…

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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) 4.26 7.92 -12.44 1 5 0 67 368.82 2 ↓

Parameters Provided:

ring.id = 46767
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 = 46767 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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