UCSF
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Popular Name: 3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(2-methyl-5-propyl-1,2,4-triaz…

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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 7.08 -8.79 1 4 0 55 276.409 3 ↓
Mid Mid (pH 6-8) 3.11 7.29 -8.21 2 4 0 57 276.409 3 ↓

Analogs

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Popular Name: 3-(5-isobutyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-isobutyl-2-methyl-1,2,4-tri…

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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) 2.60 7.6 -8.57 1 4 0 55 290.436 3 ↓
Mid Mid (pH 6-8) 3.35 7.76 -8 2 4 0 57 290.436 3 ↓

Parameters Provided:

ring.id = 143451
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 = 143451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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