UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36779909
36779909
36779910
36779910
36779911
36779911
36779912
36779912
36781957
36781957

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Popular Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-methylpiperazin-1-yl)ethanone 2-(1,3-benzothiazol-2-ylamino)-1…

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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) 1.60 4.12 -9.1 1 5 0 48 290.392 3 ↓
Mid Mid (pH 6-8) 1.60 6.47 -46.67 2 5 1 50 291.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-benzothiazol-2-ylamino)-1-piperazin-1-yl-ethanone 2-(1,3-benzothiazol-2-ylamino)-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.00 4.16 -55.89 3 5 1 62 277.373 3 ↓
Mid Mid (pH 6-8) 1.00 2.85 -11.92 2 5 0 57 276.365 3 ↓

Parameters Provided:

ring.id = 571208
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 = 571208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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