UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-[(4-methyl-1H-imidazol-2-yl)methyl]-3,7-diazaspiro[4.5] (5R)-7-[(2-fluoro-5-methoxy-phen…

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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) 2.24 8.8 -78.52 3 5 2 47 374.504 5 ↓
Hi High (pH 8-9.5) 2.24 5.95 -9.14 1 5 0 44 372.488 5 ↓
Hi High (pH 8-9.5) 2.24 6.74 -28.1 2 5 1 46 373.496 5 ↓

Analogs

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Popular Name: (5S)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-[(4-methyl-1H-imidazol-2-yl)methyl]-3,7-diazaspiro[4.5] (5S)-7-[(2-fluoro-5-methoxy-phen…

Find On: PubMed — Wikipedia — Google

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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) 2.24 8.91 -78.87 3 5 2 47 374.504 5 ↓
Hi High (pH 8-9.5) 2.24 6.99 -28.14 2 5 1 46 373.496 5 ↓
Hi High (pH 8-9.5) 2.24 6.19 -10.05 1 5 0 44 372.488 5 ↓

Parameters Provided:

ring.id = 22700
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 = 22700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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