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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12766738
12766738
12766743
12766743

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one (2R)-2-[(1,1-dioxo-1,2-benzothia…

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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) 1.66 5.94 -23.16 1 8 0 99 434.562 7 ↓
Hi High (pH 8-9.5) 1.66 4.98 -46.5 0 8 -1 101 433.554 7 ↓

Analogs

12766738
12766738
12766743
12766743

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one (2S)-2-[(1,1-dioxo-1,2-benzothia…

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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) 1.66 5.82 -23.5 1 8 0 99 434.562 7 ↓
Hi High (pH 8-9.5) 1.66 4.87 -48.43 0 8 -1 101 433.554 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-piperazin-1-yl-ethanone 2-[(1,1-dioxo-1,2-benzothiazol-3…

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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) -1.31 -0.65 -17.53 2 7 0 91 308.363 3 ↓
Mid Mid (pH 6-8) -1.31 0.65 -60.28 3 7 1 95 309.371 3 ↓

Parameters Provided:

ring.id = 148221
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 = 148221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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