UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2577717
2577717

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Popular Name: [7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-yl]-thiomorpholino-methanone [7-nitro-3-oxido-5-(trifluoromet…

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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) 1.05 1.03 -18.28 0 7 0 91 393.368 3 ↓

Analogs

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Popular Name: 2-Amino-5-bromobenzothiazole 3-oxide 2-Amino-5-bromobenzothiazole 3-o…

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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) 1.13 4.14 -20.08 2 3 0 51 245.101 0 ↓
Hi High (pH 8-9.5) -2.26 -3.49 -17.32 4 9 0 134 299.283 3 ↓

Parameters Provided:

ring.id = 233673
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 = 233673 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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