UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[2-(4-fluorophenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-fluorophenyl)ethyl]-2-pe…

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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) 7.41 14.29 -5.45 0 0 0 0 332.509 7 ↓

Analogs

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Popular Name: 5-[2-(4-ethylphenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-ethylphenyl)ethyl]-2-pen…

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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) 8.15 15.66 -4.12 0 0 0 0 342.573 8 ↓

Analogs

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Popular Name: 4-[2-(2-pentylthieno[2,3-b]thiophen-5-yl)ethyl]benzonitrile 4-[2-(2-pentylthieno[2,3-b]thiop…

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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) 7.00 14.62 -8.01 0 1 0 24 339.529 7 ↓

Analogs

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Popular Name: 5-[2-(4-chlorophenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-chlorophenyl)ethyl]-2-pe…

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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) 7.93 14.74 -4.72 0 0 0 0 348.964 7 ↓

Analogs

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Popular Name: 2-[2-(4-heptylphenyl)ethyl]-5-pentyl-thieno[2,3-b]thiophene 2-[2-(4-heptylphenyl)ethyl]-5-pe…

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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) 9.29 19.57 -3.84 0 0 0 0 412.708 13 ↓

Analogs

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Popular Name: 5-[2-(4-butylphenyl)ethyl]-2-pentyl-thieno[2,3-b]thiophene 5-[2-(4-butylphenyl)ethyl]-2-pen…

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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) 8.75 17.22 -3.91 0 0 0 0 370.627 10 ↓

Parameters Provided:

ring.id = 195140
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 = 195140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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