UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

26163177
26163177

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Popular Name: 1-(4-chlorophenyl)-3-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]urea 1-(4-chlorophenyl)-3-[[5-(1-pipe…

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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) 3.93 5.55 -13 2 6 0 79 413.952 5 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]urea 1-(4-fluorophenyl)-3-[[5-(1-pipe…

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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 5.1 -13.56 2 6 0 79 397.497 5 ↓

Analogs

26163684
26163684

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Popular Name: 3-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]-1-(p-tolyl)urea 3-[[5-(1-piperidylsulfonyl)-2-th…

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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 5.71 -13.3 2 6 0 79 393.534 5 ↓

Analogs

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Popular Name: 1-(m-tolyl)-3-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]urea 1-(m-tolyl)-3-[[5-(1-piperidylsu…

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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) 3.68 5.68 -13.39 2 6 0 79 393.534 5 ↓

Analogs

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Popular Name: 1-phenyl-3-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]urea 1-phenyl-3-[[5-(1-piperidylsulfo…

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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) 3.25 5.04 -13.28 2 6 0 79 379.507 5 ↓

Parameters Provided:

ring.id = 230985
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 = 230985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=230985&filter.purchasability=annotated

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