UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12854869
12854869

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Popular Name: N-[4-[(5S)-4,5-dihydroisoxazol-5-yl]phenyl]-4-methyl-benzamide N-[4-[(5S)-4,5-dihydroisoxazol-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) 3.19 7.66 -12.73 1 4 0 51 280.327 3 ↓

Analogs

12854864
12854864

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Popular Name: N-[4-[(5R)-4,5-dihydroisoxazol-5-yl]phenyl]-4-methyl-benzamide N-[4-[(5R)-4,5-dihydroisoxazol-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) 3.19 7.67 -16.23 1 4 0 51 280.327 3 ↓

Analogs

12854879
12854879

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Popular Name: 2-chloro-N-[4-[(5S)-4,5-dihydroisoxazol-5-yl]phenyl]benzamide 2-chloro-N-[4-[(5S)-4,5-dihydroi…

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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) 3.37 7.49 -14.14 1 4 0 51 300.745 3 ↓

Analogs

12854874
12854874

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Popular Name: 2-chloro-N-[4-[(5R)-4,5-dihydroisoxazol-5-yl]phenyl]benzamide 2-chloro-N-[4-[(5R)-4,5-dihydroi…

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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) 3.37 7.49 -16.8 1 4 0 51 300.745 3 ↓

Analogs

12854890
12854890

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Popular Name: 3-methoxy-N-[4-[(5R)-5-methyl-4H-isoxazol-5-yl]phenyl]benzamide 3-methoxy-N-[4-[(5R)-5-methyl-4H…

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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) 3.22 6.79 -20.41 1 5 0 60 310.353 4 ↓

Analogs

12854884
12854884

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Popular Name: 3-methoxy-N-[4-[(5S)-5-methyl-4H-isoxazol-5-yl]phenyl]benzamide 3-methoxy-N-[4-[(5S)-5-methyl-4H…

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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) 3.22 6.75 -19.93 1 5 0 60 310.353 4 ↓

Analogs

12854900
12854900

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Popular Name: 4-methoxy-N-[4-[(5R)-5-methyl-4H-isoxazol-5-yl]phenyl]benzamide 4-methoxy-N-[4-[(5R)-5-methyl-4H…

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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) 3.25 6.76 -17.67 1 5 0 60 310.353 4 ↓

Analogs

12854896
12854896

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Popular Name: 4-methoxy-N-[4-[(5S)-5-methyl-4H-isoxazol-5-yl]phenyl]benzamide 4-methoxy-N-[4-[(5S)-5-methyl-4H…

Find On: PubMed — Wikipedia — Google

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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) 3.25 6.76 -17.38 1 5 0 60 310.353 4 ↓

Parameters Provided:

ring.id = 107754
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 = 107754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=107754&filter.purchasability=annotated

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