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Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 2.86 8.76 -48.34 2 6 1 63 400.524 7 ↓
Mid Mid (pH 6-8) 2.86 6.88 -13.96 1 6 0 62 399.516 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 2.86 8.78 -46.44 2 6 1 63 400.524 7 ↓
Mid Mid (pH 6-8) 2.86 6.24 -12.68 1 6 0 62 399.516 7 ↓

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2S)-2-dimethylamino-2-(4-eth…

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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) 3.74 11.01 -46.93 2 5 1 54 398.552 7 ↓
Hi High (pH 8-9.5) 3.74 8.91 -12.63 1 5 0 53 397.544 7 ↓

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2R)-2-dimethylamino-2-(4-eth…

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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) 3.74 11.41 -54.06 2 5 1 54 398.552 7 ↓
Hi High (pH 8-9.5) 3.74 9.28 -13.75 1 5 0 53 397.544 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2R)-2-(dimethylamino)-2-(3-f…

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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) 2.97 9.53 -51.03 2 5 1 54 388.488 6 ↓
Mid Mid (pH 6-8) 2.97 7.85 -13.15 1 5 0 53 387.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2S)-2-(dimethylamino)-2-(3-f…

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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) 2.97 9.55 -49.18 2 5 1 54 388.488 6 ↓
Mid Mid (pH 6-8) 2.97 7.07 -12.07 1 5 0 53 387.48 6 ↓

Parameters Provided:

ring.id = 26972
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 = 26972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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