UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[[3-(ethoxymethyl)-4-methoxy-p…

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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) 3.82 2.34 -51.25 1 5 1 49 379.48 7 ↓

Analogs

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

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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) 3.71 12.23 -47.47 1 5 0 71 368.82 4 ↓
Mid Mid (pH 6-8) 3.71 10.46 -52.64 0 5 -1 69 367.812 4 ↓

Analogs

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

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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) 4.76 9.96 -55.14 2 4 1 51 389.397 4 ↓
Hi High (pH 8-9.5) 4.76 7.63 -9.33 1 4 0 49 388.389 4 ↓

Analogs

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

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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) 3.55 7.42 -53.43 1 6 -1 90 367.356 4 ↓
Mid Mid (pH 6-8) 3.55 9.74 -80.2 2 6 0 91 368.364 4 ↓

Parameters Provided:

ring.id = 94336
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 = 94336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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