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Analogs

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Popular Name: 2-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)pyridine-3-sulfonamide 2-chloro-N-(5,6-dihydro-4H-cyclo…

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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) 3.38 3.95 -14.6 1 5 0 75 315.807 2 ↓
Mid Mid (pH 6-8) 2.46 3.4 -51.29 0 5 -1 74 314.799 3 ↓

Analogs

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-6-hydrazino-pyridine-3-sulfonamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 2.17 2.09 -14.83 4 7 0 113 311.392 3 ↓
Hi High (pH 8-9.5) 1.24 1.54 -52.4 3 7 -1 112 310.384 4 ↓
Mid Mid (pH 6-8) 1.24 2.02 -48.15 4 7 0 113 311.392 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-hydrazino-pyridine-3-sulfonamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 1.95 2.41 -14.36 4 7 0 113 311.392 3 ↓
Hi High (pH 8-9.5) 1.02 1.87 -50.49 3 7 -1 112 310.384 4 ↓
Mid Mid (pH 6-8) 1.02 2.35 -48.6 4 7 0 113 311.392 4 ↓

Analogs

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Popular Name: 5-bromo-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-hydrazino-pyridine-3-sulfonamide 5-bromo-N-(5,6-dihydro-4H-cyclop…

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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) 2.90 3.01 -12 4 7 0 113 390.288 3 ↓
Mid Mid (pH 6-8) 1.98 2.47 -45.77 3 7 -1 112 389.28 4 ↓
Lo Low (pH 4.5-6) 2.90 3.48 -32.65 5 7 1 114 391.296 3 ↓

Parameters Provided:

ring.id = 583824
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 = 583824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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