UCSF
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Analogs

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Popular Name: 6-ethoxy-3-[[(1-phenethyltetrazol-5-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]-1H-qu 6-ethoxy-3-[[(1-phenethyltetrazo…

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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) 2.36 10.92 -42.12 2 9 1 99 489.6 11 ↓
Hi High (pH 8-9.5) 2.36 8.89 -12.83 1 9 0 98 488.592 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethoxy-3-[[(1-phenethyltetrazol-5-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]methyl]-1H-qu 6-ethoxy-3-[[(1-phenethyltetrazo…

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) 2.36 11.17 -41.59 2 9 1 99 489.6 11 ↓
Hi High (pH 8-9.5) 2.36 8.4 -19.72 1 9 0 98 488.592 11 ↓

Parameters Provided:

ring.id = 23334
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 = 23334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=23334&filter.purchasability=annotated

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