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

Analogs

27985999
27985999
27986005
27986005
28576124
28576124

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Popular Name: 1-(5-fluoro-3-methyl-benzofuran-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]methanamine 1-(5-fluoro-3-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) 1.98 6.85 -43.87 2 3 1 39 264.32 4 ↓

Analogs

27985999
27985999
27986005
27986005
28576124
28576124

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-fluoro-3-methyl-benzofuran-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]methanamine 1-(5-fluoro-3-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) 1.98 6.85 -43.11 2 3 1 39 264.32 4 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine N-[[3-(aminomethyl)benzofuran-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) 2.17 6.81 -109.2 4 4 2 54 290.407 6 ↓
Hi High (pH 8-9.5) 2.17 6.41 -34.99 3 4 1 53 289.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine N-[[3-(aminomethyl)benzofuran-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) 2.17 7.11 -112.21 4 4 2 54 290.407 6 ↓
Hi High (pH 8-9.5) 2.17 6.71 -33.7 3 4 1 53 289.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)benzofuran-2-yl]-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]methanamine 1-[3-(aminomethyl)benzofuran-2-y…

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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) 1.79 5.73 -119.4 4 4 2 54 276.38 5 ↓
Hi High (pH 8-9.5) 1.79 3.31 -52.34 3 4 1 53 275.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(aminomethyl)benzofuran-2-yl]-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]methanamine 1-[3-(aminomethyl)benzofuran-2-y…

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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) 1.79 5.75 -119.5 4 4 2 54 276.38 5 ↓
Hi High (pH 8-9.5) 1.79 3.34 -52.97 3 4 1 53 275.372 5 ↓

Analogs

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Popular Name: N-methyl-1-[2-[[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[[methyl-[[(2S)-te…

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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) 2.17 7.6 -113.12 3 4 2 43 290.407 6 ↓
Hi High (pH 8-9.5) 2.17 5.18 -46.39 2 4 1 42 289.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[[methyl-[[(2R)-te…

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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) 2.17 7.61 -113.23 3 4 2 43 290.407 6 ↓
Hi High (pH 8-9.5) 2.17 5.24 -46.94 2 4 1 42 289.399 6 ↓

Analogs

42812815
42812815
42812820
42812820
42812825
42812825
42812830
42812830
42815946
42815946

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Popular Name: (1R)-1-(3-methylbenzofuran-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine (1R)-1-(3-methylbenzofuran-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) 3.37 7.24 -37.01 2 3 1 39 260.357 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methylbenzofuran-2-yl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine (1S)-1-(3-methylbenzofuran-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) 3.37 7.22 -37.7 2 3 1 39 260.357 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methylbenzofuran-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine (1R)-1-(3-methylbenzofuran-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) 3.37 7.26 -37.64 2 3 1 39 260.357 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methylbenzofuran-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine (1S)-1-(3-methylbenzofuran-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) 3.37 7.24 -37.13 2 3 1 39 260.357 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methylbenzofuran-2-yl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine (1R)-1-(3-methylbenzofuran-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) 3.70 8 -33.16 2 3 1 39 274.384 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methylbenzofuran-2-yl)-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine (1S)-1-(3-methylbenzofuran-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) 3.70 7.93 -34.47 2 3 1 39 274.384 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methylbenzofuran-2-yl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine (1R)-1-(3-methylbenzofuran-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) 3.70 7.68 -34.67 2 3 1 39 274.384 4 ↓

Analogs

42815946
42815946
42815951
42815951
42815955
42815955
42815959
42815959

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methylbenzofuran-2-yl)-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]ethanamine (1S)-1-(3-methylbenzofuran-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) 3.70 7.73 -32.94 2 3 1 39 274.384 4 ↓

Parameters Provided:

ring.id = 5855
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 = 5855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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