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Analogs

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Popular Name: N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2R)-2-(2-chlorophenyl)-2-(di…

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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) 1.64 8.94 -62.46 2 5 1 59 348.854 7 ↓
Mid Mid (pH 6-8) 1.64 7.63 -18.67 1 5 0 58 347.846 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2S)-2-(2-chlorophenyl)-2-(di…

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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) 1.64 8.64 -58.76 2 5 1 59 348.854 7 ↓
Mid Mid (pH 6-8) 1.64 7.77 -18.22 1 5 0 58 347.846 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide 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) 0.40 5.53 -20.36 1 5 0 58 303.337 5 ↓
Mid Mid (pH 6-8) 0.40 7.2 -64.04 2 5 1 59 304.345 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide 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) 0.40 4.73 -19.71 1 5 0 58 303.337 5 ↓
Mid Mid (pH 6-8) 0.40 7.21 -64.91 2 5 1 59 304.345 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide 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) 0.29 6.43 -60.6 2 6 1 68 316.381 6 ↓
Mid Mid (pH 6-8) 0.29 4.77 -20.68 1 6 0 67 315.373 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide 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) 0.29 6.44 -61.51 2 6 1 68 316.381 6 ↓
Mid Mid (pH 6-8) 0.29 3.95 -19.85 1 6 0 67 315.373 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(diethylamino)-2-phenyl-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2R)-2-(diethylamino)-2-pheny…

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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) 1.01 8.38 -61.04 2 5 1 59 314.409 7 ↓
Hi High (pH 8-9.5) 1.01 6.76 -17.62 1 5 0 58 313.401 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(diethylamino)-2-phenyl-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2S)-2-(diethylamino)-2-pheny…

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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) 1.01 7.82 -60.65 2 5 1 59 314.409 7 ↓
Hi High (pH 8-9.5) 1.01 6.07 -17.92 1 5 0 58 313.401 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(2S)-2-(dimethylamino)-2-phen…

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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) 0.26 7.15 -61.33 2 5 1 59 286.355 5 ↓
Mid Mid (pH 6-8) 0.26 4.71 -18.38 1 5 0 58 285.347 5 ↓

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[2-(3,5-dichlorophenyl)ethyl]-…

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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) 1.73 7.04 -22.26 1 4 0 55 311.168 4 ↓

Analogs

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Popular Name: N-[2-(3-bromo-4-fluoro-phenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[2-(3-bromo-4-fluoro-phenyl)et…

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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) 1.35 6.68 -24.32 1 4 0 55 339.164 4 ↓

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[2-(2-chlorophenyl)ethyl]-1-ox…

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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) 1.08 6.44 -20.84 1 4 0 55 276.723 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 = 200975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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