UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzofuran-3-yl]pentanamide N-[2-[4-(4-methoxyphenyl)piperaz…

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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) 4.64 8.64 -13.72 1 7 0 75 435.524 7 ↓

Analogs

38589121
38589121

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Popular Name: [4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxybenzofuran-2-yl)methanone [4-(4-fluorophenyl)piperazin-1-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) 3.70 7.46 -9.74 0 5 0 46 354.381 3 ↓

Analogs

38588385
38588385
8960620
8960620

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Popular Name: (7-methoxybenzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (7-methoxybenzofuran-2-yl)-[4-(4…

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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) 3.59 6.55 -10.47 0 6 0 55 366.417 4 ↓

Analogs

3528476
3528476

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Popular Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]-methanone (5-methoxy-3-methyl-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) 3.97 -0.83 -9.84 0 6 0 55 380.444 4 ↓

Analogs

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Popular Name: benzofuran-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-methanone benzofuran-2-yl-[4-[3-(trifluoro…

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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 10.11 -8.92 0 4 0 37 374.362 3 ↓

Analogs

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Popular Name: (5-chlorobenzofuran-2-yl)-[4-(2-chlorophenyl)piperazin-1-yl]methanone (5-chlorobenzofuran-2-yl)-[4-(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) 4.81 9.67 -6.64 0 4 0 37 375.255 2 ↓

Analogs

31358161
31358161

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Popular Name: [3-(methoxymethyl)benzofuran-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone [3-(methoxymethyl)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) 3.47 8.12 -11.28 0 6 0 55 380.444 5 ↓

Parameters Provided:

ring.id = 82426
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 = 82426 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=82426&filter.purchasability=annotated

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