UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7943545
7943545
7955007
7955007

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Popular Name: N-[(5-fluoro-3-methyl-benzofuran-2-yl)methyl]cyclopentanamine N-[(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) 3.00 8.4 -42.89 2 2 1 30 248.321 3 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-methyl-cyclopentanamine 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) 2.82 7.24 -118.41 4 3 2 45 260.381 4 ↓
Hi High (pH 8-9.5) 2.82 6.83 -37.45 3 3 1 44 259.373 4 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopentanamine N-methyl-N-[[3-(methylaminomethy…

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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) 3.19 9.11 -112.07 3 3 2 34 274.408 5 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)benzofuran-2-yl]methyl]-N-methyl-cyclopentanamine N-[[3-(ethylaminomethyl)benzofur…

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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) 3.57 9.96 -112.42 3 3 2 34 288.435 6 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N-ethyl-cyclopentanamine 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) 3.19 7.97 -115.74 4 3 2 45 274.408 5 ↓
Hi High (pH 8-9.5) 3.19 7.56 -34.86 3 3 1 44 273.4 5 ↓

Analogs

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Popular Name: N-ethyl-N-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]cyclopentanamine N-ethyl-N-[[3-(methylaminomethyl…

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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) 3.57 9.84 -109.22 3 3 2 34 288.435 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methylbenzofuran-2-yl)ethyl]cyclopentanamine N-[(1R)-1-(3-methylbenzofuran-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) 4.40 8.81 -35.77 2 2 1 30 244.358 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-methylbenzofuran-2-yl)ethyl]cyclopentanamine N-[(1S)-1-(3-methylbenzofuran-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) 4.40 8.86 -36.41 2 2 1 30 244.358 3 ↓

Analogs

19475585
19475585

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Popular Name: (2R)-2-(5-bromobenzofuran-2-yl)-2-(cyclopentylamino)propanoic (2R)-2-(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) 4.12 9.12 -27.15 2 4 0 70 352.228 4 ↓

Analogs

19475585
19475585

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Popular Name: (2S)-2-(5-bromobenzofuran-2-yl)-2-(cyclopentylamino)propanoic (2S)-2-(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) 4.12 9 -28.04 2 4 0 70 352.228 4 ↓

Analogs

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Popular Name: (2R)-2-(5-bromobenzofuran-2-yl)-2-(cyclopentylamino)propan-1-ol (2R)-2-(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) 4.24 5.85 -35.39 3 3 1 50 339.253 4 ↓

Analogs

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Popular Name: (2S)-2-(5-bromobenzofuran-2-yl)-2-(cyclopentylamino)propan-1-ol (2S)-2-(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) 4.24 5.88 -36.2 3 3 1 50 339.253 4 ↓

Parameters Provided:

ring.id = 5852
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 = 5852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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