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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-sec-butylphenoxy)acetamide N-[4-(5,7-dichloro-1,3-benzoxazo…

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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) 7.62 11.36 -14.64 1 5 0 64 469.368 7 ↓

Analogs

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Popular Name: N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-sec-butylphenoxy)acetamide N-[4-(5,7-dichloro-1,3-benzoxazo…

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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) 7.62 11.36 -14.66 1 5 0 64 469.368 7 ↓

Analogs

861659
861659

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Popular Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-ethoxyphenoxy)acetamide N-[4-(1,3-benzoxazol-2-yl)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) 4.94 8 -22.74 1 6 0 74 388.423 7 ↓

Analogs

1413964
1413964

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Popular Name: 2-(4-acetylphenoxy)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide 2-(4-acetylphenoxy)-N-[4-(1,3-be…

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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) 4.41 8.17 -28.19 1 6 0 81 386.407 6 ↓

Analogs

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Popular Name: 2-(4-acetyl-2-methoxy-phenoxy)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide 2-(4-acetyl-2-methoxy-phenoxy)-N…

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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) 4.00 7.94 -31.41 1 7 0 91 416.433 7 ↓

Analogs

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Popular Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide N-[4-(1,3-benzoxazol-2-yl)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) 6.40 -1.73 -18.18 1 5 0 64 447.705 5 ↓

Analogs

5197771
5197771

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Popular Name: N-(4-benzooxazol-2-ylphenyl)-2-(2-isopropyl-5-methyl-phenoxy)-acetamide N-(4-benzooxazol-2-ylphenyl)-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) 5.92 -0.12 -17.54 1 5 0 64 400.478 6 ↓

Analogs

29048710
29048710

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Popular Name: N-[4-(5,7-dimethylbenzooxazol-2-yl)phenyl]-2-(3-methylphenoxy)-acetamide N-[4-(5,7-dimethylbenzooxazol-2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CETP-1-E Cholesteryl Ester Transfer Protein (cluster #1 Of 3), Eukaryotic Eukaryotes 690 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CETP_HUMAN P11597 Cholesteryl Ester Transfer Protein, Human 690 0.30 Binding ≤ 1μM
CETP_HUMAN P11597 Cholesteryl Ester Transfer Protein, Human 690 0.30 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) 5.73 -0.37 -18.12 1 5 0 64 386.451 5 ↓

Parameters Provided:

ring.id = 110841
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 = 110841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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