UCSF
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Analogs

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Popular Name: 4-[(6-chloro-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic 4-[(6-chloro-1,3-benzothiazol-2-…

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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) 3.88 7.96 -31.38 2 5 0 79 305.746 3 ↓
Hi High (pH 8-9.5) 3.88 7.55 -49.2 1 5 -1 78 304.738 3 ↓

Analogs

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Popular Name: 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic 4-[(6-methyl-1,3-benzothiazol-2-…

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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) 3.65 8.1 -31.28 2 5 0 79 285.328 3 ↓
Hi High (pH 8-9.5) 3.65 7.69 -51.52 1 5 -1 78 284.32 3 ↓

Analogs

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Popular Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic 4-[(6-methoxy-1,3-benzothiazol-2…

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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) 3.26 6.72 -32.62 2 6 0 88 301.327 4 ↓
Hi High (pH 8-9.5) 3.26 6.31 -51.61 1 6 -1 87 300.319 4 ↓

Parameters Provided:

ring.id = 565590
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 = 565590 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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