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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(5-quinolyl)thiophene-2-carboxylic 5-(5-quinolyl)thiophene-2-carbox…

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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 8.25 -51.06 0 3 -1 53 254.29 2 ↓

Analogs

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Popular Name: (E)-3-[5-(5-quinolyl)-2-thienyl]prop-2-enoic (E)-3-[5-(5-quinolyl)-2-thienyl]…

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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) 3.81 7.98 -54.84 0 3 -1 53 280.328 3 ↓

Analogs

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Popular Name: 1-[5-(5-quinolyl)-2-thienyl]butan-1-one 1-[5-(5-quinolyl)-2-thienyl]buta…

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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) 4.98 9.72 -8.66 0 2 0 30 281.38 4 ↓

Analogs

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Popular Name: 1-[5-(5-quinolyl)-2-thienyl]propan-1-one 1-[5-(5-quinolyl)-2-thienyl]prop…

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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) 4.42 8.96 -8.87 0 2 0 30 267.353 3 ↓

Analogs

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Popular Name: 1-[5-(5-quinolyl)-2-thienyl]ethanone 1-[5-(5-quinolyl)-2-thienyl]etha…

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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) 3.91 8.12 -9.03 0 2 0 30 253.326 2 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-quinolyl)-2-thienyl]butan-1-amine (1S)-1-[5-(5-quinolyl)-2-thienyl…

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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) 2.94 7.96 -48.5 3 2 1 41 283.42 4 ↓
Hi High (pH 8-9.5) 2.94 7.64 -5.92 2 2 0 39 282.412 4 ↓

Analogs

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Popular Name: (1R)-1-[5-(5-quinolyl)-2-thienyl]butan-1-amine (1R)-1-[5-(5-quinolyl)-2-thienyl…

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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) 2.94 7.96 -49.46 3 2 1 41 283.42 4 ↓
Hi High (pH 8-9.5) 2.94 7.62 -6.53 2 2 0 39 282.412 4 ↓

Analogs

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Popular Name: (1S)-1-[5-(5-quinolyl)-2-thienyl]propan-1-amine (1S)-1-[5-(5-quinolyl)-2-thienyl…

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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) 2.38 7.19 -47.27 3 2 1 41 269.393 3 ↓
Hi High (pH 8-9.5) 2.38 6.87 -5.99 2 2 0 39 268.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-(5-quinolyl)-2-thienyl]propan-1-amine (1R)-1-[5-(5-quinolyl)-2-thienyl…

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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) 2.38 7.19 -48.16 3 2 1 41 269.393 3 ↓
Hi High (pH 8-9.5) 2.38 6.85 -6.61 2 2 0 39 268.385 3 ↓

Parameters Provided:

ring.id = 568251
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 = 568251 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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