UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8978530
8978530

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Popular Name: 6-chloro-3-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(4-chlorophenyl)-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) 6.65 3.41 -13.7 0 4 0 56 439.294 5 ↓

Analogs

5606333
5606333

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Popular Name: 6-chloro-3-[2-(4-fluorophenyl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(4-fluorophenyl)-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) 6.14 4.29 -13.97 0 4 0 56 422.839 5 ↓

Analogs

8978528
8978528

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Popular Name: 3-[2-(4-bromophenyl)-2-oxo-ethoxy]-6-chloro-2-(p-tolyl)chromen-4-one 3-[2-(4-bromophenyl)-2-oxo-ethox…

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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) 6.78 2.79 -13.57 0 4 0 56 483.745 5 ↓

Analogs

9042215
9042215
8978531
8978531

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Popular Name: 6-chloro-3-[2-(2,4-dichlorophenyl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(2,4-dichloropheny…

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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) 7.26 3.24 -14.67 0 4 0 56 473.739 5 ↓

Analogs

9042346
9042346
9042348
9042348
9042356
9042356
8978532
8978532

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Popular Name: 6-chloro-3-[2-(4-ethoxyphenyl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(4-ethoxyphenyl)-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) 6.40 3.61 -15.6 0 5 0 65 448.902 7 ↓

Analogs

9042217
9042217

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Popular Name: 6-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(3,4-dimethoxyphen…

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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 3.93 -17.71 0 6 0 74 464.901 7 ↓

Analogs

9042355
9042355
9044365
9044365
9044525
9044525
1925280
1925280
1925429
1925429

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Popular Name: 6-chloro-3-[2-(4-nitrophenyl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(4-nitrophenyl)-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) 5.93 4.07 -15.65 0 7 0 102 449.846 6 ↓

Analogs

8978536
8978536
1925279
1925279

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Popular Name: N-[4-[2-[6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetyl]phenyl]acetamide N-[4-[2-[6-chloro-4-oxo-2-(p-tol…

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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) 5.19 2.43 -19.33 1 6 0 85 461.901 6 ↓

Analogs

9044370
9044370
9044726
9044726

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Popular Name: N-[4-[2-(6-chloro-7-methyl-4-oxo-2-phenyl-chromen-3-yl)oxyacetyl]phenyl]acetamide N-[4-[2-(6-chloro-7-methyl-4-oxo…

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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) 5.12 2.42 -19.06 1 6 0 86 461.901 6 ↓

Analogs

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Popular Name: 6-chloro-3-[2-(2,4-dichlorophenyl)-2-oxo-ethoxy]-7-methyl-2-(p-tolyl)chromen-4-one 6-chloro-3-[2-(2,4-dichloropheny…

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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) 7.63 3.55 -13.91 0 4 0 57 487.766 5 ↓

Analogs

9045181
9045181
9045185
9045185

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Popular Name: 6-chloro-3-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-(3,4-dimethoxyphenyl)-7-methyl-chromen-4-one 6-chloro-3-[2-(4-chlorophenyl)-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) 6.22 3.75 -14.68 0 6 0 75 499.346 7 ↓

Parameters Provided:

ring.id = 5991
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 = 5991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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