UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[cyclobutylmethyl(methyl)amino]methyl]benzofuran-3-carboxylic 2-[[cyclobutylmethyl(methyl)amin…

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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) 2.85 10.24 -45.27 1 4 0 58 273.332 5 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)benzofuran-2-yl]-N-(cyclobutylmethyl)-N-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) 2.46 7.77 -120.2 4 3 2 45 260.381 5 ↓
Hi High (pH 8-9.5) 2.46 7.36 -39.42 3 3 1 44 259.373 5 ↓

Analogs

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Popular Name: 1-[2-[[cyclobutylmethyl(methyl)amino]methyl]benzofuran-3-yl]-N-methyl-methanamine 1-[2-[[cyclobutylmethyl(methyl)a…

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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) 2.84 9.15 -113.97 3 3 2 34 274.408 6 ↓

Analogs

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Popular Name: N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[[cyclobutylmethyl(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) 3.21 10.5 -114.45 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(7-methoxybenzofuran-2-yl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(7-m…

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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) 3.67 7.65 -39.96 2 3 1 39 260.357 5 ↓

Analogs

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Popular Name: (1R)-N-(cyclobutylmethyl)-1-(7-methoxybenzofuran-2-yl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(7-m…

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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) 3.67 7.65 -40.09 2 3 1 39 260.357 5 ↓

Analogs

37985073
37985073

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Popular Name: 1-(benzofuran-2-yl)-N-(cyclobutylmethyl)methanamine 1-(benzofuran-2-yl)-N-(cyclobuty…

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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) 3.10 7.86 -42.55 2 2 1 30 216.304 4 ↓

Analogs

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Popular Name: (1S)-1-(benzofuran-2-yl)-N-(cyclobutylmethyl)ethanamine (1S)-1-(benzofuran-2-yl)-N-(cycl…

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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 8.38 -38.88 2 2 1 30 230.331 4 ↓

Analogs

44515844
44515844
44515846
44515846
44517581
44517581
44517582
44517582

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Popular Name: (1R)-1-(benzofuran-2-yl)-N-(cyclobutylmethyl)ethanamine (1R)-1-(benzofuran-2-yl)-N-(cycl…

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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 8.38 -38.98 2 2 1 30 230.331 4 ↓

Analogs

44512056
44512056

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Popular Name: (1R)-N-(cyclobutylmethyl)-1-(3-ethylbenzofuran-2-yl)ethanamine (1R)-N-(cyclobutylmethyl)-1-(3-e…

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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) 4.51 9.73 -38.76 2 2 1 30 258.385 5 ↓

Analogs

44512056
44512056

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Popular Name: (1S)-N-(cyclobutylmethyl)-1-(3-ethylbenzofuran-2-yl)ethanamine (1S)-N-(cyclobutylmethyl)-1-(3-e…

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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) 4.51 9.67 -38.85 2 2 1 30 258.385 5 ↓

Analogs

44511604
44511604
44511605
44511605
44515534
44515534
44515536
44515536

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Popular Name: (1S)-1-(5-bromobenzofuran-2-yl)-N-(cyclobutylmethyl)ethanamine (1S)-1-(5-bromobenzofuran-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) 4.45 8.98 -41.11 2 2 1 30 309.227 4 ↓

Analogs

44511604
44511604
44511605
44511605
44515534
44515534
44515536
44515536

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Popular Name: (1R)-1-(5-bromobenzofuran-2-yl)-N-(cyclobutylmethyl)ethanamine (1R)-1-(5-bromobenzofuran-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) 4.45 8.98 -41.2 2 2 1 30 309.227 4 ↓

Parameters Provided:

ring.id = 219282
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 = 219282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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