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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(5-chloro-1,3-benzothiazol-2-yl)pyridin-3-amine 5-(5-chloro-1,3-benzothiazol-2-y…

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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) 3.50 4.39 -7.84 2 3 0 52 261.737 1 ↓

Analogs

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Popular Name: 5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyridin-3-amine 5-[5-(trifluoromethyl)-1,3-benzo…

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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) 3.72 4.86 -8.13 2 3 0 52 295.289 2 ↓

Analogs

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Popular Name: 5-(5-methyl-1,3-benzothiazol-2-yl)pyridin-3-amine 5-(5-methyl-1,3-benzothiazol-2-y…

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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) 3.27 4.55 -9.1 2 3 0 52 241.319 1 ↓

Analogs

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Popular Name: 5-(5-fluoro-1,3-benzothiazol-2-yl)pyridin-3-amine 5-(5-fluoro-1,3-benzothiazol-2-y…

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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) 2.99 3.95 -8.31 2 3 0 52 245.282 1 ↓

Analogs

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Popular Name: 5-(5-bromo-1,3-benzothiazol-2-yl)pyridin-3-amine 5-(5-bromo-1,3-benzothiazol-2-yl…

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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) 3.63 4.49 -7.7 2 3 0 52 306.188 1 ↓

Analogs

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Popular Name: 5-(7-chloro-1,3-benzothiazol-2-yl)pyridin-3-amine 5-(7-chloro-1,3-benzothiazol-2-y…

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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) 3.48 4.37 -8.28 2 3 0 52 261.737 1 ↓

Analogs

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Popular Name: 5-[6-(methylamino)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide 5-[6-(methylamino)-1,3-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) 1.94 1.64 -9.87 3 5 0 81 284.344 3 ↓

Parameters Provided:

ring.id = 30548
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 = 30548 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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