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Analogs

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Popular Name: 7-chloro-N-(3-pyridyl)-1,3-benzothiazol-2-amine 7-chloro-N-(3-pyridyl)-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) 4.05 6.97 -7.58 1 3 0 38 261.737 2 ↓
Lo Low (pH 4.5-6) 4.05 7.43 -39.14 2 3 1 39 262.745 2 ↓

Analogs

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Popular Name: 5-bromo-N-(3-pyridyl)-1,3-benzothiazol-2-amine 5-bromo-N-(3-pyridyl)-1,3-benzot…

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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) 4.20 7.09 -6.91 1 3 0 38 306.188 2 ↓
Lo Low (pH 4.5-6) 4.20 7.54 -38.05 2 3 1 39 307.196 2 ↓

Analogs

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Popular Name: 5-fluoro-N-(3-pyridyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(3-pyridyl)-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) 3.56 6.54 -7.48 1 3 0 38 245.282 2 ↓
Lo Low (pH 4.5-6) 3.56 7 -38.59 2 3 1 39 246.29 2 ↓

Analogs

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Popular Name: 5-methyl-N-(3-pyridyl)-1,3-benzothiazol-2-amine 5-methyl-N-(3-pyridyl)-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) 3.84 6.5 -8.09 1 3 0 38 241.319 2 ↓
Lo Low (pH 4.5-6) 3.84 6.96 -41.12 2 3 1 39 242.327 2 ↓

Analogs

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Popular Name: 5-chloro-N-(3-pyridyl)-1,3-benzothiazol-2-amine 5-chloro-N-(3-pyridyl)-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) 4.07 6.98 -6.99 1 3 0 38 261.737 2 ↓
Lo Low (pH 4.5-6) 4.07 7.44 -38.08 2 3 1 39 262.745 2 ↓

Analogs

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Popular Name: 7-chloro-N-(6-methoxy-3-pyridyl)-1,3-benzothiazol-2-amine 7-chloro-N-(6-methoxy-3-pyridyl)…

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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) 4.44 5.45 -7.96 1 4 0 47 291.763 3 ↓

Analogs

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Popular Name: 5-bromo-N-(6-methoxy-3-pyridyl)-1,3-benzothiazol-2-amine 5-bromo-N-(6-methoxy-3-pyridyl)-…

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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) 4.60 5.55 -7.55 1 4 0 47 336.214 3 ↓

Analogs

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Popular Name: 5-fluoro-N-(6-methoxy-3-pyridyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(6-methoxy-3-pyridyl)…

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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) 3.95 5.01 -8.16 1 4 0 47 275.308 3 ↓

Analogs

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Popular Name: N-(6-methoxy-3-pyridyl)-5-methyl-1,3-benzothiazol-2-amine N-(6-methoxy-3-pyridyl)-5-methyl…

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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) 4.24 4.97 -8.03 1 4 0 47 271.345 3 ↓

Analogs

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Popular Name: 5-chloro-N-(6-methoxy-3-pyridyl)-1,3-benzothiazol-2-amine 5-chloro-N-(6-methoxy-3-pyridyl)…

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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) 4.47 5.45 -7.6 1 4 0 47 291.763 3 ↓

Parameters Provided:

ring.id = 300278
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 = 300278 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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