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Analogs

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Popular Name: N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazol-2-amine N-[(1R)-1-(1,3,5-trimethylpyrazo…

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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) 3.13 7.63 -9.84 1 4 0 43 286.404 3 ↓
Lo Low (pH 4.5-6) 3.13 7.76 -33.9 2 4 1 44 287.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazol-2-amine N-[(1S)-1-(1,3,5-trimethylpyrazo…

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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) 3.13 7.62 -10.65 1 4 0 43 286.404 3 ↓
Lo Low (pH 4.5-6) 3.13 7.76 -33.81 2 4 1 44 287.412 3 ↓

Parameters Provided:

ring.id = 253674
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 = 253674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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