UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27587308
27587308
27587313
27587313

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanon 2-(5-chloro-6-methyl-benzofuran-…

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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) 5.43 11.71 -13.69 0 3 0 33 371.839 2 ↓

Analogs

27587308
27587308
27587313
27587313

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanon 2-(5-chloro-6-methyl-benzofuran-…

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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) 5.43 11.66 -13.62 0 3 0 33 371.839 2 ↓

Analogs

4810471
4810471

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone 2-(5-chloro-6-methyl-benzofuran-…

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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) 4.96 11.24 -13.64 0 3 0 33 339.822 2 ↓

Analogs

27587308
27587308
27587313
27587313

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]eth 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 5.81 11.97 -13.87 0 3 0 33 385.866 2 ↓

Analogs

27587308
27587308
27587313
27587313

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]eth 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 5.81 11.94 -13.84 0 3 0 33 385.866 2 ↓

Analogs

4810471
4810471

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 5.34 11.52 -13.71 0 3 0 33 353.849 2 ↓

Analogs

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Popular Name: 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone 1-[(2S)-6-fluoro-2-methyl-3,4-di…

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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) 4.82 11.29 -14.39 0 3 0 33 337.394 2 ↓

Analogs

27587308
27587308
27587313
27587313

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone 1-[(2R)-6-fluoro-2-methyl-3,4-di…

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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) 4.82 11.23 -14.39 0 3 0 33 337.394 2 ↓

Analogs

27587308
27587308
27587313
27587313

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(5-methylbenzofuran-3-yl)ethanone 1-[(2S)-6-fluoro-2-methyl-3,4-di…

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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) 4.82 11.29 -14.37 0 3 0 33 337.394 2 ↓

Analogs

27587308
27587308
27587313
27587313

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(5-methylbenzofuran-3-yl)ethanone 1-[(2R)-6-fluoro-2-methyl-3,4-di…

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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) 4.82 11.23 -14.3 0 3 0 33 337.394 2 ↓

Analogs

4810471
4810471
3333887
3333887

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Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methylbenzofuran-3-yl)ethanone 1-(3,4-dihydro-2H-quinolin-1-yl)…

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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) 4.35 10.83 -14.44 0 3 0 33 305.377 2 ↓

Analogs

27587308
27587308
27587313
27587313

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Popular Name: 2-(5-ethylbenzofuran-3-yl)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone 2-(5-ethylbenzofuran-3-yl)-1-[(2…

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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) 5.29 12.05 -14.09 0 3 0 33 351.421 3 ↓

Analogs

27587308
27587308
27587313
27587313

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethylbenzofuran-3-yl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone 2-(5-ethylbenzofuran-3-yl)-1-[(2…

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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) 5.29 12 -14.03 0 3 0 33 351.421 3 ↓

Analogs

3333887
3333887
4810471
4810471

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-ethylbenzofuran-3-yl)ethanone 1-(3,4-dihydro-2H-quinolin-1-yl)…

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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) 4.82 11.59 -14.05 0 3 0 33 319.404 3 ↓

Parameters Provided:

ring.id = 2999
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 = 2999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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