UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-cyclopropyl-5-propyl-benzofuran-2-carboxylic 3-cyclopropyl-5-propyl-benzofura…

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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) 3.63 9.91 -52.93 0 3 -1 53 243.282 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-5-propyl-benzofuran-2-carbonitrile 3-cyclopropyl-5-propyl-benzofura…

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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 9.47 -5.04 0 2 0 37 225.291 3 ↓

Analogs

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Popular Name: (3-cyclopropyl-5-propyl-benzofuran-2-yl)methanamine (3-cyclopropyl-5-propyl-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) 3.24 7.22 -47.52 3 2 1 41 230.331 4 ↓

Analogs

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Popular Name: 3-cyclopropyl-4,6-difluoro-benzofuran-2-carboxylic 3-cyclopropyl-4,6-difluoro-benzo…

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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) 2.58 7.81 -43.97 0 3 -1 53 237.181 2 ↓

Analogs

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Popular Name: 3-cyclopropyl-4,6-difluoro-benzofuran-2-carbonitrile 3-cyclopropyl-4,6-difluoro-benzo…

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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) 2.76 7.34 -3.02 0 2 0 37 219.19 1 ↓

Analogs

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Popular Name: (3-cyclopropyl-4,6-difluoro-benzofuran-2-yl)methanamine (3-cyclopropyl-4,6-difluoro-benz…

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Activity (Go SEA)

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) 2.19 5.31 -49.54 3 2 1 41 224.23 2 ↓

Analogs

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Popular Name: 1-(benzofuran-3-yl)cyclopropanol 1-(benzofuran-3-yl)cyclopropanol

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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) 1.97 3.44 -5.98 1 2 0 33 174.199 1 ↓

Parameters Provided:

ring.id = 44204
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 = 44204 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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