UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7007527
7007527
3561920
3561920

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Popular Name: 2-(4,6-dimethylbenzofuran-3-yl)-N-(4,5-dimethylthiazol-2-yl)acetamide 2-(4,6-dimethylbenzofuran-3-yl)-…

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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) 3.47 8.48 -18.7 1 4 0 55 314.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,6-dimethylbenzofuran-3-yl)-N-(4-methylthiazol-2-yl)acetamide 2-(4,6-dimethylbenzofuran-3-yl)-…

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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) 3.25 7.43 -13.37 1 4 0 55 300.383 3 ↓

Analogs

7007527
7007527
3561920
3561920

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-(4,5-dimethylthiazol-2-yl)acetamide 2-(5-chloro-6-methyl-benzofuran-…

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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) 3.70 8.52 -17.78 1 4 0 55 334.828 3 ↓

Analogs

3561920
3561920

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-(4-methylthiazol-2-yl)acetamide 2-(5-chloro-6-methyl-benzofuran-…

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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) 3.48 7.47 -12.88 1 4 0 55 320.801 3 ↓

Analogs

4868350
4868350
4820603
4820603

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(5-nitrothiazol-2-yl)acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 3.72 8.43 -18.63 1 7 0 101 365.798 4 ↓
Hi High (pH 8-9.5) 3.90 7.16 -34.67 0 7 -1 107 364.79 4 ↓

Analogs

4840658
4840658
2885283
2885283

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-thiazol-2-yl-acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 3.64 7.48 -17.54 1 4 0 55 320.801 3 ↓

Analogs

7007527
7007527
3561920
3561920

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(4,5-dimethylthiazol-2-yl)acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 4.08 8.81 -17.91 1 4 0 55 348.855 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(4-methylthiazol-2-yl)acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 3.86 7.76 -12.92 1 4 0 55 334.828 3 ↓

Analogs

4820603
4820603
4868350
4868350

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Popular Name: 2-(6-methylbenzofuran-3-yl)-N-(5-nitrothiazol-2-yl)acetamide 2-(6-methylbenzofuran-3-yl)-N-(5…

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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) 2.74 7.72 -19.13 1 7 0 101 317.326 4 ↓
Hi High (pH 8-9.5) 2.92 6.45 -35.66 0 7 -1 107 316.318 4 ↓

Analogs

3561920
3561920

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-(6-methylbenzofuran-3-yl)acetamide N-(4,5-dimethylthiazol-2-yl)-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) 3.10 8.1 -18.72 1 4 0 55 300.383 3 ↓

Analogs

4820603
4820603
4868350
4868350

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(5-nitrothiazol-2-yl)acetamide 2-(5-methylbenzofuran-3-yl)-N-(5…

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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) 2.74 7.72 -19.07 1 7 0 101 317.326 4 ↓
Hi High (pH 8-9.5) 2.92 6.46 -35.93 0 7 -1 107 316.318 4 ↓

Analogs

16527129
16527129
5574924
5574924

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Popular Name: 2-(5-methylbenzofuran-3-yl)-N-thiazol-2-yl-acetamide 2-(5-methylbenzofuran-3-yl)-N-th…

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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) 2.65 6.77 -18.32 1 4 0 55 272.329 3 ↓

Analogs

12802292
12802292

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-(5-methylbenzofuran-3-yl)acetamide N-(4,5-dimethylthiazol-2-yl)-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) 3.10 8.1 -18.71 1 4 0 55 300.383 3 ↓

Analogs

3561920
3561920

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(4-methylthiazol-2-yl)acetamide 2-(5-methylbenzofuran-3-yl)-N-(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) 2.87 7.05 -13.34 1 4 0 55 286.356 3 ↓

Analogs

4820603
4820603
4868350
4868350

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-(5-nitrothiazol-2-yl)acetamide 2-(5-ethylbenzofuran-3-yl)-N-(5-…

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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) 3.20 8.47 -18.66 1 7 0 101 331.353 5 ↓
Hi High (pH 8-9.5) 3.39 7.21 -35.85 0 7 -1 107 330.345 5 ↓

Analogs

3561918
3561918

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-2-(5-ethylbenzofuran-3-yl)acetamide N-(4,5-dimethylthiazol-2-yl)-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) 3.56 8.85 -18.29 1 4 0 55 314.41 4 ↓

Analogs

3561918
3561918

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-(4-methylthiazol-2-yl)acetamide 2-(5-ethylbenzofuran-3-yl)-N-(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) 3.34 7.8 -13.07 1 4 0 55 300.383 4 ↓

Parameters Provided:

ring.id = 2825
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 = 2825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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