UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(2-fluorophenyl)piperazin-1-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone [4-(2-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) 2.82 10.35 -44.87 1 4 1 28 368.476 4 ↓

Analogs

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Popular Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone [4-(4-methoxyphenyl)piperazin-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) 2.76 9.65 -48.21 1 5 1 37 380.512 5 ↓

Analogs

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Popular Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone [4-(5-chloro-2-methyl-phenyl)pip…

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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) 3.75 11.76 -49.16 1 4 1 28 398.958 4 ↓

Analogs

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Popular Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone [4-(3-chlorophenyl)piperazin-1-y…

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) 3.35 10.87 -48.53 1 4 1 28 384.931 4 ↓

Parameters Provided:

ring.id = 224093
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 = 224093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=224093&filter.purchasability=annotated

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