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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[(2S)-2,3-dihydrobenzofuran-2-carbonyl]amino]cyclohexane-1-carboxylic 1-[[(2S)-2,3-dihydrobenzofuran-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) 0.32 7.62 -68.67 1 5 -1 78 288.323 3 ↓

Analogs

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Popular Name: 1-[[(2R)-2,3-dihydrobenzofuran-2-carbonyl]amino]cyclohexane-1-carboxylic 1-[[(2R)-2,3-dihydrobenzofuran-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) 0.32 7.61 -67.09 1 5 -1 78 288.323 3 ↓

Analogs

40466495
40466495
40466497
40466497
40466499
40466499
40466500
40466500
48326031
48326031

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Popular Name: (2R)-N-(4-aminocyclohexyl)-2,3-dihydrobenzofuran-2-carboxamide (2R)-N-(4-aminocyclohexyl)-2,3-d…

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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) 0.87 4.43 -54.84 4 4 1 66 261.345 2 ↓

Analogs

40466495
40466495
40466497
40466497
40466499
40466499
40466500
40466500
48326031
48326031

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-aminocyclohexyl)-2,3-dihydrobenzofuran-2-carboxamide (2S)-N-(4-aminocyclohexyl)-2,3-d…

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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) 0.87 4.48 -55.45 4 4 1 66 261.345 2 ↓

Analogs

40466495
40466495
40466497
40466497
40466499
40466499
40466500
40466500
48326031
48326031

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Popular Name: (2S)-N-[4-(methylamino)cyclohexyl]-2,3-dihydrobenzofuran-2-carboxamide (2S)-N-[4-(methylamino)cyclohexy…

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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) 1.78 6.1 -49.93 3 4 1 55 275.372 3 ↓

Analogs

40466495
40466495
40466497
40466497
40466499
40466499
40466500
40466500
48326031
48326031

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[4-(methylamino)cyclohexyl]-2,3-dihydrobenzofuran-2-carboxamide (2R)-N-[4-(methylamino)cyclohexy…

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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) 1.78 6.1 -50.13 3 4 1 55 275.372 3 ↓

Analogs

40466495
40466495
40466497
40466497
40466499
40466499
40466500
40466500
48326031
48326031

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[4-(ethylamino)cyclohexyl]-2,3-dihydrobenzofuran-2-carboxamide (2S)-N-[4-(ethylamino)cyclohexyl…

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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) 2.16 6.95 -48.91 3 4 1 55 289.399 4 ↓

Analogs

40466495
40466495
40466497
40466497
40466499
40466499
40466500
40466500
48326031
48326031

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[4-(ethylamino)cyclohexyl]-2,3-dihydrobenzofuran-2-carboxamide (2R)-N-[4-(ethylamino)cyclohexyl…

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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) 2.16 7.35 -53.9 3 4 1 55 289.399 4 ↓

Analogs

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Popular Name: (2R)-N-cyclohexyl-N-(2-hydroxyethyl)-2,3-dihydrobenzofuran-2-carboxamide (2R)-N-cyclohexyl-N-(2-hydroxyet…

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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) 2.60 6.42 -13.56 1 4 0 50 289.375 4 ↓

Analogs

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Popular Name: (2S)-N-cyclohexyl-N-(2-hydroxyethyl)-2,3-dihydrobenzofuran-2-carboxamide (2S)-N-cyclohexyl-N-(2-hydroxyet…

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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) 2.60 6.31 -13.54 1 4 0 50 289.375 4 ↓

Parameters Provided:

ring.id = 46815
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 = 46815 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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