UCSF
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Popular Name: 2-chloro-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)pyrimidine-5-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) 2.87 3.05 -10.02 1 6 0 88 316.795 2 ↓
Mid Mid (pH 6-8) 1.94 2.5 -40.36 0 6 -1 87 315.787 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-hydrazino-pyrimidine-5-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) 1.44 2.47 -13.13 4 8 0 126 312.38 3 ↓
Mid Mid (pH 6-8) 0.51 1.92 -47.09 3 8 -1 125 311.372 4 ↓
Lo Low (pH 4.5-6) 1.44 2.97 -36.05 5 8 1 127 313.388 3 ↓

Parameters Provided:

ring.id = 583823
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 = 583823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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