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Analogs

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Popular Name: (1R)-1-methyl-2-[[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (1R)-1-methyl-2-[[(3S)-tetrahydr…

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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) 3.22 8.06 -41.83 2 3 1 29 271.384 2 ↓
Mid Mid (pH 6-8) 3.22 6.05 -5.81 1 3 0 28 270.376 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-methyl-2-[[(3S)-tetrahydrofuran-3-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole (1S)-1-methyl-2-[[(3S)-tetrahydr…

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) 3.22 8.11 -41.23 2 3 1 29 271.384 2 ↓
Mid Mid (pH 6-8) 3.22 6.07 -6.22 1 3 0 28 270.376 2 ↓

Parameters Provided:

ring.id = 545066
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 = 545066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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