UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(2,5-dihydrothiophen-3-ylmethyl-phenyl-amino)-2-oxo-ethoxy]benzoic 2-[2-(2,5-dihydrothiophen-3-ylme…

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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) 3.83 12.14 -69.67 0 5 -1 70 368.434 7 ↓

Analogs

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Popular Name: 4-[2-(2,5-dihydrothiophen-3-ylmethyl-phenyl-amino)-2-oxo-ethoxy]benzoic 4-[2-(2,5-dihydrothiophen-3-ylme…

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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) 3.80 11.66 -54.5 0 5 -1 70 368.434 7 ↓

Analogs

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Popular Name: 3-[2-(2,5-dihydrothiophen-3-ylmethyl-phenyl-amino)-2-oxo-ethoxy]benzoic 3-[2-(2,5-dihydrothiophen-3-ylme…

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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) 3.77 11.65 -61.89 0 5 -1 70 368.434 7 ↓

Analogs

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Popular Name: 4-[2-(2,5-dihydrothiophen-3-ylmethyl-phenyl-amino)-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-(2,5-dihydrothiophen-3-ylme…

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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) 3.39 11.41 -55.62 0 6 -1 79 398.46 8 ↓

Analogs

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Popular Name: 2-[4-[2-(2,5-dihydrothiophen-3-ylmethyl-phenyl-amino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-(2,5-dihydrothiophen-3-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) 3.31 12.22 -58.38 0 5 -1 70 382.461 8 ↓

Analogs

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Popular Name: 4-[2-(2,5-dihydrothiophen-3-ylmethyl-phenyl-amino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(2,5-dihydrothiophen-3-ylme…

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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) 3.72 11.54 -134.2 0 7 -2 110 411.435 8 ↓

Parameters Provided:

ring.id = 138009
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 = 138009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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