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Popular Name: (3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(3-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepi (3R)-3-hydroxy-1-(2-methoxyethyl…

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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) -1.11 5.91 -45.25 2 8 1 85 338.432 5 ↓
Mid Mid (pH 6-8) -1.11 5.53 -16.88 1 8 0 84 337.424 5 ↓

Analogs

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Popular Name: (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[(3-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepi (3S)-3-hydroxy-1-(2-methoxyethyl…

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) -1.11 6.33 -42.81 2 8 1 85 338.432 5 ↓
Mid Mid (pH 6-8) -1.11 5.7 -16.4 1 8 0 84 337.424 5 ↓

Parameters Provided:

ring.id = 602136
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 = 602136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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