UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(4-benzylpiperazin-1-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-oxo-butanamide 4-(4-benzylpiperazin-1-yl)-N-[[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) 2.99 8.9 -11.98 1 5 0 53 451.464 8 ↓

Analogs

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Popular Name: N-benzyl-4-(4-benzylpiperazin-1-yl)-N-(2-cyanoethyl)-4-oxo-butanamide N-benzyl-4-(4-benzylpiperazin-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) 1.70 11.35 -15.27 0 6 0 68 418.541 9 ↓

Analogs

37782128
37782128
37782129
37782129
37798860
37798860
37798879
37798879
37798880
37798880

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Popular Name: 4-(4-benzylpiperazin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-butanamide 4-(4-benzylpiperazin-1-yl)-N-[(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) 1.82 7.64 -12.72 1 7 0 71 425.529 9 ↓

Analogs

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Popular Name: 4-(4-benzylpiperazin-1-yl)-4-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide 4-(4-benzylpiperazin-1-yl)-4-oxo…

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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) 2.95 7.63 -10.05 1 6 0 62 449.473 9 ↓

Parameters Provided:

ring.id = 597996
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 = 597996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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