UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48543794
48543794
287575
287575
9096043
9096043

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Popular Name: 2-(4-amino-1-piperidyl)-N-(1,3-benzothiazol-2-yl)acetamide 2-(4-amino-1-piperidyl)-N-(1,3-b…

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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) 1.34 2.62 -50.72 4 5 1 73 291.4 3 ↓
Mid Mid (pH 6-8) 1.15 3.7 -37.74 3 5 0 79 290.392 3 ↓
Lo Low (pH 4.5-6) 1.34 4.81 -118.53 5 5 2 74 292.408 3 ↓

Analogs

44514205
44514205

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Popular Name: 2-[4-(acetamidomethyl)-1-piperidyl]-N-(1,3-benzothiazol-2-yl)acetamide 2-[4-(acetamidomethyl)-1-piperid…

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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) 1.99 6.96 -59.73 3 6 1 76 347.464 5 ↓
Hi High (pH 8-9.5) 1.99 4.78 -22.94 2 6 0 74 346.456 5 ↓

Analogs

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Popular Name: 2-(4-ethoxy-1-piperidyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide 2-(4-ethoxy-1-piperidyl)-N-(6-fl…

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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) 2.23 7.94 -50.88 2 5 1 56 338.428 5 ↓
Mid Mid (pH 6-8) 2.23 5.77 -14.48 1 5 0 54 337.42 5 ↓

Parameters Provided:

ring.id = 27844
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 = 27844 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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