UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-phenyl-BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 2.55 11.74 -12.86 0 8 0 76 486.601 5 ↓

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-phenyl-BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 2.55 11.55 -12.64 0 8 0 76 486.601 5 ↓

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.19 12.24 -12.71 0 8 0 76 500.628 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.19 12.42 -12.92 0 8 0 76 500.628 5 ↓

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(3-chlorophenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.42 12.06 -11.88 0 8 0 76 521.046 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(3-chlorophenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.42 12.26 -12.01 0 8 0 76 521.046 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(4-chlorophenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.23 12.07 -10.86 0 8 0 76 521.046 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(4-chlorophenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.23 12.25 -11.03 0 8 0 76 521.046 5 ↓

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 2.72 11.6 -10.98 0 8 0 76 504.591 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 2.72 11.79 -11.26 0 8 0 76 504.591 5 ↓

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.59 12.91 -12.83 0 8 0 76 514.655 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.59 13.1 -13.03 0 8 0 76 514.655 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.59 13.43 -12.14 0 8 0 76 514.655 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-ox…

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) 3.59 13.21 -12.6 0 8 0 76 514.655 5 ↓

Analogs

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Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(p-tolyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-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) 3.00 12.24 -12.46 0 8 0 76 500.628 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(p-tolyl)BLAHone [2-(4-benzylpiperazin-1-yl)-2-ox…

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) 3.00 12.41 -12.64 0 8 0 76 500.628 5 ↓

Parameters Provided:

ring.id = 229331
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 = 229331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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