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Analogs

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Popular Name: N-(3-fluorophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(3-fluorophenyl)-2-(3-oxo-1,2-…

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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) 2.83 7.15 -20.77 1 4 0 51 302.33 3 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)phenyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-[3-(dimethylamino)phenyl]-2-(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) 2.77 7.47 -19.88 1 5 0 54 327.409 4 ↓

Analogs

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Popular Name: N-(3-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(3-iodophenyl)-2-(3-oxo-1,2-be…

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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) 3.75 8.18 -19.02 1 4 0 51 410.236 3 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(4-methoxyphenyl)-2-(3-oxo-1,2…

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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) 2.75 6.35 -19.8 1 5 0 60 314.366 4 ↓

Analogs

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Popular Name: N-(4-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(4-iodophenyl)-2-(3-oxo-1,2-be…

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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) 3.77 8.18 -17.7 1 4 0 51 410.236 3 ↓

Analogs

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Popular Name: N-(4-cyanophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(4-cyanophenyl)-2-(3-oxo-1,2-b…

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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) 2.44 7.48 -20.43 1 5 0 75 309.35 3 ↓

Analogs

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Popular Name: N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(2-iodophenyl)-2-(3-oxo-1,2-be…

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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 8.33 -16.08 1 4 0 51 410.236 3 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(3-bromophenyl)-2-(3-oxo-1,2-b…

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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 7.7 -19.48 1 4 0 51 363.236 3 ↓

Analogs

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Popular Name: N-(4-dimethylaminophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(4-dimethylaminophenyl)-2-(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) 2.79 7.47 -20.26 1 5 0 54 327.409 4 ↓
Lo Low (pH 4.5-6) 2.79 8.23 -91.7 2 5 0 56 328.417 4 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(2-fluorophenyl)-2-(3-oxo-1,2-…

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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) 2.81 7.18 -17.41 1 4 0 51 302.33 3 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(2-chlorophenyl)-2-(3-oxo-1,2-…

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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) 3.32 7.71 -16.72 1 4 0 51 318.785 3 ↓

Analogs

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Popular Name: (2S)-2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenyl-propanamide (2S)-2-(3-oxo-1,2-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) 3.05 8.35 -19.99 1 4 0 51 298.367 3 ↓

Analogs

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Popular Name: (2R)-2-(3-oxo-1,2-benzothiazol-2-yl)-N-phenyl-propanamide (2R)-2-(3-oxo-1,2-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) 3.05 8.39 -19.87 1 4 0 51 298.367 3 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(2-bromophenyl)-2-(3-oxo-1,2-b…

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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) 3.45 7.85 -16.56 1 4 0 51 363.236 3 ↓

Analogs

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Popular Name: N-(2-cyanophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(2-cyanophenyl)-2-(3-oxo-1,2-b…

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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) 2.40 7.51 -16.93 1 5 0 75 309.35 3 ↓

Analogs

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Popular Name: N-(o-tolyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide N-(o-tolyl)-2-(3-oxo-1,2-benzoth…

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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) 3.09 7.96 -18.63 1 4 0 51 298.367 3 ↓

Analogs

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Popular Name: 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide 2-(3-oxo-1,2-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) 3.54 8.33 -15.73 1 4 0 51 352.337 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 472159 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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