UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-phenyl-BLAHone [2-[4-(furan-2-carbonyl)piperazi…

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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) 1.45 10.41 -17.55 0 10 0 106 490.545 4 ↓

Analogs

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Popular Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-phenyl-BLAHone [2-[4-(furan-2-carbonyl)piperazi…

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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) 1.45 10.45 -18.36 0 10 0 106 490.545 4 ↓

Analogs

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Popular Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[4-(furan-2-carbonyl)piperazi…

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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) 2.08 11.12 -18.35 0 10 0 106 504.572 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-(m-tolyl)BLAHone [2-[4-(furan-2-carbonyl)piperazi…

Find On: PubMed — Wikipedia — Google

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) 2.08 11.08 -17.43 0 10 0 106 504.572 4 ↓

Analogs

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Popular Name: (4-fluorophenyl)-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]BLAHone (4-fluorophenyl)-[2-[4-(furan-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) 1.61 10.45 -16.56 0 10 0 106 508.535 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluorophenyl)-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]BLAHone (4-fluorophenyl)-[2-[4-(furan-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) 1.61 10.52 -16.39 0 10 0 106 508.535 4 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]BLAHone (3,4-dimethylphenyl)-[2-[4-(fura…

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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) 2.48 11.65 -18.32 0 10 0 106 518.599 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethylphenyl)-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]BLAHone (3,4-dimethylphenyl)-[2-[4-(fura…

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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) 2.48 11.62 -17.5 0 10 0 106 518.599 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylphenyl)-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]BLAHone (2,4-dimethylphenyl)-[2-[4-(fura…

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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) 2.48 12.28 -17.09 0 10 0 106 518.599 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,4-dimethylphenyl)-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]BLAHone (2,4-dimethylphenyl)-[2-[4-(fura…

Find On: PubMed — Wikipedia — Google

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) 2.48 11.98 -17.31 0 10 0 106 518.599 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-(p-tolyl)BLAHone [2-[4-(furan-2-carbonyl)piperazi…

Find On: PubMed — Wikipedia — Google

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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) 1.89 11.06 -17.92 0 10 0 106 504.572 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-(p-tolyl)BLAHone [2-[4-(furan-2-carbonyl)piperazi…

Find On: PubMed — Wikipedia — Google

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) 1.89 11.13 -17.58 0 10 0 106 504.572 4 ↓

Parameters Provided:

ring.id = 229333
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 = 229333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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