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Analogs

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Popular Name: (2R)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2R)-N-(5-butyl-1,3,4-thiadiazol…

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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) 2.84 6.34 -26.55 2 8 0 113 435.575 10 ↓
Hi High (pH 8-9.5) 3.02 5.28 -48.73 1 8 -1 120 434.567 10 ↓

Analogs

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Popular Name: (2S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2S)-N-(5-butyl-1,3,4-thiadiazol…

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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) 2.84 6.34 -26.63 2 8 0 113 435.575 10 ↓
Hi High (pH 8-9.5) 3.02 5.28 -48.84 1 8 -1 120 434.567 10 ↓

Analogs

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Popular Name: (2S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanamid (2S)-N-(5-butyl-1,3,4-thiadiazol…

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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) 2.02 5.49 -24.55 2 8 0 113 421.548 8 ↓
Hi High (pH 8-9.5) 2.20 4.45 -49.02 1 8 -1 120 420.54 8 ↓

Parameters Provided:

ring.id = 119417
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 = 119417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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