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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(3-aminophenyl)methyl]-4,5,6,…

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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) 2.66 6.11 -7.81 3 3 0 55 286.4 3 ↓

Analogs

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Popular Name: 3-(benzyl-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino)propanoic 3-(benzyl-(4,5,6,7-tetrahydroben…

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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) 3.37 10.53 -45.84 0 4 -1 60 342.44 6 ↓

Analogs

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Popular Name: 3-[benzyl-[(5R)-5-methyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]propanoic 3-[benzyl-[(5R)-5-methyl4,5,6,7-…

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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) 3.59 11.12 -45.55 0 4 -1 60 356.467 6 ↓

Analogs

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Popular Name: 3-[benzyl-[(5S)-5-methyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]propanoic 3-[benzyl-[(5S)-5-methyl4,5,6,7-…

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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) 3.59 10.93 -45.48 0 4 -1 60 356.467 6 ↓

Analogs

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Popular Name: 3-[benzyl-[(5R)-5-ethyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]propanoic 3-[benzyl-[(5R)-5-ethyl4,5,6,7-t…

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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) 4.10 11.74 -45.29 0 4 -1 60 370.494 7 ↓

Analogs

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Popular Name: 3-[benzyl-[(5S)-5-ethyl4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]amino]propanoic 3-[benzyl-[(5S)-5-ethyl4,5,6,7-t…

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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) 4.10 11.77 -45.44 0 4 -1 60 370.494 7 ↓

Analogs

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Popular Name: (5R)-N-benzyl-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide (5R)-N-benzyl-5-methyl-4,5,6,7-t…

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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) 3.83 8.83 -7.11 1 2 0 29 285.412 3 ↓

Analogs

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Popular Name: (5S)-N-benzyl-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide (5S)-N-benzyl-5-methyl-4,5,6,7-t…

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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) 3.83 8.83 -7.1 1 2 0 29 285.412 3 ↓

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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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) 3.15 5.92 -7.98 2 3 0 49 301.411 4 ↓

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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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) 3.15 5.92 -7.99 2 3 0 49 301.411 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-aminophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1S)-1-(4-aminophenyl)ethyl]-…

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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) 3.24 6.96 -8.44 3 3 0 55 300.427 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-aminophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1R)-1-(4-aminophenyl)ethyl]-…

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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) 3.24 6.96 -8.41 3 3 0 55 300.427 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-aminophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1S)-1-(3-aminophenyl)ethyl]-…

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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) 3.22 6.96 -8.31 3 3 0 55 300.427 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-aminophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1R)-1-(3-aminophenyl)ethyl]-…

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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) 3.22 6.96 -8.29 3 3 0 55 300.427 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-aminophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1S)-1-(2-aminophenyl)ethyl]-…

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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) 3.60 7.09 -7.9 3 3 0 55 300.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-aminophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide N-[(1R)-1-(2-aminophenyl)ethyl]-…

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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) 3.60 7.09 -7.85 3 3 0 55 300.427 3 ↓

Parameters Provided:

ring.id = 36275
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 = 36275 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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