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

Analogs

12001448
12001448

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Popular Name: (E)-N-[[(2S)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-but-2-enami (E)-N-[[(2S)-5-(5-acetyl-2-thien…

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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) 4.82 -1.02 -13.61 1 4 0 55 389.904 5 ↓

Analogs

12001440
12001440

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Popular Name: (E)-N-[[(2R)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-but-2-enami (E)-N-[[(2R)-5-(5-acetyl-2-thien…

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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) 4.82 -1.03 -13.41 1 4 0 55 389.904 5 ↓

Analogs

12005069
12005069
12158934
12158934
12158937
12158937

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Popular Name: N-[[(2S)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-butanamide N-[[(2S)-5-(5-acetyl-2-thienyl)-…

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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 -1.21 -12.82 1 4 0 55 391.92 6 ↓

Analogs

12158934
12158934
12158937
12158937
12005065
12005065

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Popular Name: N-[[(2R)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-butanamide N-[[(2R)-5-(5-acetyl-2-thienyl)-…

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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 -1.19 -12.54 1 4 0 55 391.92 6 ↓

Analogs

12034795
12034795

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Popular Name: methyl methyl

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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 -0.76 -14.94 1 6 0 82 421.902 8 ↓

Analogs

12034793
12034793

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Popular Name: methyl methyl

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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 -0.67 -14.38 1 6 0 82 421.902 8 ↓

Analogs

12035746
12035746

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

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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) 2.80 -4 -23.14 2 6 0 85 420.918 7 ↓

Analogs

12035741
12035741

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

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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) 2.80 -3.95 -22.46 2 6 0 85 420.918 7 ↓

Parameters Provided:

ring.id = 70630
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 = 70630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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