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

Analogs

11814545
11814545
12041548
12041548
12041552
12041552

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Popular Name: N-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2,2-dimethyl-propanamide N-[[(2S)-7-chloro-5-pyrazin-2-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) 3.66 -1.9 -11.79 1 5 0 64 345.83 4 ↓

Analogs

12041548
12041548
12041552
12041552
11814544
11814544

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2,2-dimethyl-propanamide N-[[(2R)-7-chloro-5-pyrazin-2-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) 3.66 -1.84 -11.68 1 5 0 64 345.83 4 ↓

Analogs

11981250
11981250

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Popular Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methoxy-propanamide N-[[(2S)-5-(3,6-dimethylpyrazin-…

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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) 1.72 -3.19 -12.79 1 6 0 73 341.411 6 ↓

Analogs

11981246
11981246

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Popular Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methoxy-propanamide N-[[(2R)-5-(3,6-dimethylpyrazin-…

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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) 1.72 -3.14 -12.41 1 6 0 73 341.411 6 ↓

Analogs

11995762
11995762

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Popular Name: (2S)-2-acetamido-N-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]propanamide (2S)-2-acetamido-N-[[(2S)-7-chlo…

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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) 1.11 -4.31 -14.25 2 7 0 93 374.828 5 ↓

Analogs

11995761
11995761

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[[(2R)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]propanamide (2S)-2-acetamido-N-[[(2R)-7-chlo…

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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) 1.11 -4.3 -14.96 2 7 0 93 374.828 5 ↓

Analogs

12035862
12035862

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Popular Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide N-[[(2S)-5-(3,6-dimethylpyrazin-…

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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) 1.99 -2.89 -15.23 1 5 0 64 343.452 5 ↓

Analogs

12035860
12035860

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Popular Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide N-[[(2R)-5-(3,6-dimethylpyrazin-…

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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) 1.99 -2.89 -14.92 1 5 0 64 343.452 5 ↓

Analogs

12041950
12041950

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Popular Name: (2S)-2-acetamido-N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylsu (2S)-2-acetamido-N-[[(2S)-5-(3,6…

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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) 1.40 -3.89 -23.4 2 7 0 93 428.558 8 ↓

Analogs

12041946
12041946

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methylsu (2S)-2-acetamido-N-[[(2R)-5-(3,6…

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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) 1.40 -3.83 -21.72 2 7 0 93 428.558 8 ↓

Analogs

12218803
12218803

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]acetamide N-[[(2S)-5-(3,6-dimethylpyrazin-…

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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) 1.51 -2.56 -13.36 1 5 0 64 297.358 3 ↓

Analogs

12218802
12218802

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydrobenzofuran-2-yl]methyl]acetamide N-[[(2R)-5-(3,6-dimethylpyrazin-…

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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) 1.51 -2.51 -12.87 1 5 0 64 297.358 3 ↓

Parameters Provided:

ring.id = 47457
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 = 47457 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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