UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11994972
11994972

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Popular Name: (Z)-2-phenyl-3-[4-(3-phenylpropoxy)phenyl]prop-2-enoic (Z)-2-phenyl-3-[4-(3-phenylpropo…

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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) 5.62 2 -55.43 0 3 -1 49 357.429 8 ↓

Analogs

11824064
11824064

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Popular Name: (Z)-2-(4-methoxyphenyl)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enoic (Z)-2-(4-methoxyphenyl)-3-[4-(3-…

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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) 5.68 2.02 -53.09 0 4 -1 59 387.455 9 ↓

Analogs

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Popular Name: (2R)-2-[(4-bromophenyl)methyl]-3-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]phenoxy]propan-1-ol (2R)-2-[(4-bromophenyl)methyl]-3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-1-E Beta Amyloid A4 Protein (cluster #1 Of 5), Eukaryotic Eukaryotes 80 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 80 0.33 Binding ≤ 1μM
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 80 0.33 Binding ≤ 10μM

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) 7.01 12.9 -8.58 1 3 0 33 466.419 9 ↓

Analogs

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Popular Name: (2S)-2-[(4-bromophenyl)methyl]-3-[4-[(E)-2-(4-dimethylaminophenyl)vinyl]phenoxy]propan-1-ol (2S)-2-[(4-bromophenyl)methyl]-3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-1-E Beta Amyloid A4 Protein (cluster #1 Of 5), Eukaryotic Eukaryotes 80 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 80 0.33 Binding ≤ 1μM
A4_HUMAN P05067 Beta Amyloid A4 Protein, Human 80 0.33 Binding ≤ 10μM

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) 7.01 13.42 -9.64 1 3 0 33 466.419 9 ↓

Parameters Provided:

ring.id = 55046
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 = 55046 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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