UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(cyclopentoxy)-5-methyl-thiophene-2-carboxylic 3-(cyclopentoxy)-5-methyl-thioph…

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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) 3.02 7.64 -59.14 0 3 -1 49 225.289 3 ↓

Analogs

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Popular Name: 3-[(1R,2S)-2-hydroxycyclopentoxy]-5-methyl-thiophene-2-carboxylic 3-[(1R,2S)-2-hydroxycyclopentoxy…

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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) 1.86 5.26 -65.07 1 4 -1 70 241.288 3 ↓

Analogs

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Popular Name: 3-[(1S,2S)-2-hydroxycyclopentoxy]-5-methyl-thiophene-2-carboxylic 3-[(1S,2S)-2-hydroxycyclopentoxy…

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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) 1.86 4.3 -60.46 1 4 -1 70 241.288 3 ↓

Analogs

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Popular Name: 3-[(1R,2R)-2-hydroxycyclopentoxy]-5-methyl-thiophene-2-carboxylic 3-[(1R,2R)-2-hydroxycyclopentoxy…

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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) 1.86 4.3 -59.12 1 4 -1 70 241.288 3 ↓

Analogs

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Popular Name: 3-[(1S,2R)-2-hydroxycyclopentoxy]-5-methyl-thiophene-2-carboxylic 3-[(1S,2R)-2-hydroxycyclopentoxy…

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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) 1.86 5.19 -64.74 1 4 -1 70 241.288 3 ↓

Analogs

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Popular Name: 3-(cyclopentoxy)-5-ethyl-thiophene-2-carboxylic 3-(cyclopentoxy)-5-ethyl-thiophe…

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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 8.42 -58.64 0 3 -1 49 239.316 4 ↓

Parameters Provided:

ring.id = 509522
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 = 509522 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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