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Analogs

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Popular Name: 3-chloro-4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-1,2,5-thiadiazole 3-chloro-4-[4-[(1R)-1-methylprop…

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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) 2.66 5.78 -34.67 1 4 1 33 261.802 3 ↓
Hi High (pH 8-9.5) 2.66 3.93 -2.12 0 4 0 32 260.794 3 ↓

Analogs

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Popular Name: 3-chloro-4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-1,2,5-thiadiazole 3-chloro-4-[4-[(1S)-1-methylprop…

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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) 2.66 5.8 -34.68 1 4 1 33 261.802 3 ↓
Hi High (pH 8-9.5) 2.66 3.98 -2.07 0 4 0 32 260.794 3 ↓

Analogs

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Popular Name: 3-chloro-4-(4-isobutylpiperazin-1-yl)-1,2,5-thiadiazole 3-chloro-4-(4-isobutylpiperazin-…

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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) 2.57 6.14 -36.53 1 4 1 33 261.802 3 ↓
Hi High (pH 8-9.5) 2.57 4.26 -2.15 0 4 0 32 260.794 3 ↓

Analogs

37372479
37372479

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Popular Name: 3-(4-tert-butylpiperazin-1-yl)-4-chloro-1,2,5-thiadiazole 3-(4-tert-butylpiperazin-1-yl)-4…

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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) 2.64 5.42 -33.65 1 4 1 33 261.802 2 ↓
Hi High (pH 8-9.5) 2.64 3.36 -2.22 0 4 0 32 260.794 2 ↓

Parameters Provided:

ring.id = 395422
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 = 395422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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