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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33747506
33747506
8763704
8763704
8915582
8915582

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-1-(4…

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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) 6.70 1.06 -13.3 0 6 0 71 471.553 11 ↓

Analogs

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(2,4-dimethoxyphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-3-(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) 5.98 0.36 -13.54 0 6 0 71 443.499 9 ↓

Analogs

4523258
4523258
4898800
4898800

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(2-fluorophenyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-1-(4…

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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) 6.61 11.51 -11.97 0 4 0 52 415.464 8 ↓

Analogs

4372343
4372343
12614898
12614898

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-chlorophenyl)-1-(p-tolyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-3-(4…

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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) 6.31 10.88 -12.27 0 3 0 43 373.839 4 ↓

Analogs

8915579
8915579
9030824
9030824

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-isopropoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-1-(4…

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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) 5.93 11.23 -14.97 0 7 0 98 428.444 7 ↓

Analogs

9053230
9053230

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Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(3-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-1-(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) 4.94 9.51 -16.22 0 7 0 98 400.39 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one (E)-2-(1,3-benzoxazol-2-yl)-1-(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) 5.03 9.18 -15.26 0 6 0 71 429.472 8 ↓

Analogs

5547977
5547977
5610830
5610830
8779096
8779096
8915601
8915601
9030803
9030803

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Popular Name: 2-benzooxazol-2-yl-1-(4-butoxyphenyl)-3-(p-tolyl)prop-2-en-1-one 2-benzooxazol-2-yl-1-(4-butoxyph…

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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) 7.12 0.74 -12.66 0 4 0 52 411.501 8 ↓

Parameters Provided:

ring.id = 66055
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 = 66055 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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