UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42893382
42893382

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Popular Name: 2-(benzofuran-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole 2-(benzofuran-2-yl)-5-(chloromet…

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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) 2.38 2.12 -9.35 0 4 0 52 234.642 2 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-5-[(1S)-1-bromopropyl]-1,3,4-oxadiazole 2-(benzofuran-2-yl)-5-[(1S)-1-br…

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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) 3.38 3.66 -7.77 0 4 0 52 307.147 3 ↓

Analogs

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Popular Name: 2-(benzofuran-2-yl)-5-[(1R)-1-bromopropyl]-1,3,4-oxadiazole 2-(benzofuran-2-yl)-5-[(1R)-1-br…

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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) 3.38 3.65 -7.77 0 4 0 52 307.147 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(5-methylbenzofuran-2-yl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(5-meth…

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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) 3.81 4.33 -7.37 0 4 0 52 321.174 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(5-methylbenzofuran-2-yl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(5-meth…

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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) 3.81 4.33 -7.37 0 4 0 52 321.174 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-methylbenzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(5-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) 0.60 1.08 -46 3 5 1 80 258.301 3 ↓
Hi High (pH 8-9.5) 0.60 0.72 -8.25 2 5 0 78 257.293 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-methylbenzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(5-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) 0.60 1.08 -46.08 3 5 1 80 258.301 3 ↓
Hi High (pH 8-9.5) 0.60 0.76 -7.06 2 5 0 78 257.293 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(benzofuran-2-yl)-1,3,…

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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) 0.18 0.41 -46.27 3 5 1 80 244.274 3 ↓
Hi High (pH 8-9.5) 0.18 0.08 -7.48 2 5 0 78 243.266 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(benzofuran-2-yl)-1,3,…

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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) 0.18 0.41 -46.3 3 5 1 80 244.274 3 ↓
Hi High (pH 8-9.5) 0.18 0.05 -8.69 2 5 0 78 243.266 3 ↓

Analogs

42894012
42894012

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Popular Name: 5-(1-benzofuran-2-yl)-1,3,4-oxadiazole-2-thiol 5-(1-benzofuran-2-yl)-1,3,4-oxad…

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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) 2.77 1.34 -42.49 0 4 -1 52 217.229 1 ↓
Lo Low (pH 4.5-6) 2.05 1.88 -9.5 1 4 0 55 218.237 1 ↓

Analogs

33701174
33701174
42894015
42894015

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Popular Name: 2-[[5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide 2-[[5-(benzofuran-2-yl)-1,3,4-ox…

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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) 1.71 -1.08 -12.87 2 6 0 95 275.289 4 ↓

Analogs

33701174
33701174

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Popular Name: 2-[[5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethyl-acetamide 2-[[5-(benzofuran-2-yl)-1,3,4-ox…

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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) 3.08 4.31 -11.73 0 6 0 72 331.397 6 ↓

Analogs

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Popular Name: 5-(7-Ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2(3H)-one 5-(7-Ethoxy-1-benzofuran-2-yl)-1…

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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) 2.55 -1.15 -49.77 0 6 -1 84 245.214 3 ↓
Mid Mid (pH 6-8) 2.09 1.05 -11.5 1 6 0 81 246.222 3 ↓

Analogs

42894238
42894238
42894241
42894241

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Popular Name: 3-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]propanoic acid 3-[5-(1-benzofuran-2-yl)-1,3,4-o…

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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) 1.51 2.99 -45.88 0 6 -1 92 257.225 4 ↓

Analogs

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Popular Name: 4-[5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(benzofuran-2-yl)-1,3,4-oxa…

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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 3.77 -51.64 0 6 -1 92 271.252 5 ↓

Analogs

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Popular Name: 5-[5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]pentanoic 5-[5-(benzofuran-2-yl)-1,3,4-oxa…

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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) 2.28 4.55 -49.59 0 6 -1 92 285.279 6 ↓

Parameters Provided:

ring.id = 47429
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 = 47429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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