UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60220939
60220939

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Popular Name: (2R)-N-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-methoxy-phenyl]-2-(5-cyanotetrazol (2R)-N-[4-[[2-[2,4-bis(1,1-dimet…

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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) 6.60 9.08 -21.11 2 12 0 167 631.778 14 ↓

Analogs

60220934
60220934

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Popular Name: (2S)-N-[4-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-methoxy-phenyl]-2-(5-cyanotetrazol (2S)-N-[4-[[2-[2,4-bis(1,1-dimet…

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) 6.60 9.79 -19.19 2 12 0 167 631.778 14 ↓

Parameters Provided:

ring.id = 198603
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 = 198603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=198603&filter.purchasability=annotated

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