UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11995474
11995474
11995475
11995475
11995476
11995476

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2S)-5-fluoro-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-oxo-indane-1-carboxamide (1R)-N-[[(2S)-5-fluoro-7-(3-pyri…

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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) 3.07 -0.94 -16.05 1 5 0 68 402.425 4 ↓

Analogs

11995475
11995475
11995476
11995476
11995473
11995473

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[[(2R)-5-fluoro-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-oxo-indane-1-carboxamide (1R)-N-[[(2R)-5-fluoro-7-(3-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.07 -0.88 -15.13 1 5 0 68 402.425 4 ↓

Analogs

11995476
11995476
11995473
11995473
11995474
11995474

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(2S)-5-fluoro-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-oxo-indane-1-carboxamide (1S)-N-[[(2S)-5-fluoro-7-(3-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.07 -0.91 -15.12 1 5 0 68 402.425 4 ↓

Analogs

11995473
11995473
11995474
11995474

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[[(2R)-5-fluoro-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-oxo-indane-1-carboxamide (1S)-N-[[(2R)-5-fluoro-7-(3-pyri…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.07 -0.93 -16.21 1 5 0 68 402.425 4 ↓

Parameters Provided:

ring.id = 67298
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 = 67298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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