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Popular Name: 6-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1S)-1-(1,3,5-trimet…

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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) 1.68 6.72 -12.95 1 6 0 60 290.396 3 ↓
Mid Mid (pH 6-8) 1.68 7.23 -29.43 2 6 1 61 291.404 3 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1R)-1-(1,3,5-trimet…

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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) 1.68 6.7 -12.74 1 6 0 60 290.396 3 ↓
Mid Mid (pH 6-8) 1.68 7.28 -29.05 2 6 1 61 291.404 3 ↓

Analogs

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Popular Name: N-ethyl-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine N-ethyl-6-methyl-N-[(1-methylpyr…

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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) 1.30 7.7 -13.99 0 6 0 51 276.369 4 ↓
Lo Low (pH 4.5-6) 1.30 8.17 -28.63 1 6 1 53 277.377 4 ↓

Parameters Provided:

ring.id = 253644
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 = 253644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=253644&filter.purchasability=annotated

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