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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) -0.25 3.48 -22.77 2 7 0 93 301.302 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)propyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1S)-1-(4-methoxyphenyl)propy…

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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 6.01 -19.86 1 5 0 64 286.331 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)propyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1R)-1-(4-methoxyphenyl)propy…

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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 5.99 -19.87 1 5 0 64 286.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) -0.40 7.3 -23.77 1 6 0 81 314.341 6 ↓

Analogs

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Popular Name: methyl 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) -0.40 7.32 -23.47 1 6 0 81 314.341 6 ↓

Analogs

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-1-oxido-pyridin-1-ium-4-carboxamide N-[(4-dimethylaminophenyl)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) -0.08 7.39 -20.68 0 5 0 49 285.347 4 ↓
Lo Low (pH 4.5-6) -0.08 8.15 -85.98 1 5 0 50 286.355 4 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(4-methylsulfanylphenyl)methy…

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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) 0.48 6.27 -19.46 1 4 0 55 274.345 4 ↓

Analogs

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Popular Name: N-(1-methyl-1-phenyl-ethyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(1-methyl-1-phenyl-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) 1.05 6.54 -18.05 1 4 0 55 256.305 3 ↓

Analogs

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Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(3-methoxy-4-methyl-phenyl)me…

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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) 0.48 5.29 -19.54 1 5 0 64 272.304 4 ↓

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(4-bromo-2-chloro-phenyl)meth…

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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) 1.46 6.32 -18.5 1 4 0 55 341.592 3 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(3-nitrophenyl)methyl]-1-oxid…

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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) -0.02 5.96 -24.81 1 7 0 100 273.248 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1S)-1-(2,4-dichlorophenyl)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) 1.89 7.08 -21.06 1 4 0 55 311.168 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1R)-1-(2,4-dichlorophenyl)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) 1.89 7.05 -21.04 1 4 0 55 311.168 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1S)-1-(3-chlorophenyl)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) 1.26 6.6 -20.43 1 4 0 55 276.723 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1R)-1-(3-chlorophenyl)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) 1.26 6.59 -20.4 1 4 0 55 276.723 3 ↓

Analogs

42157957
42157957

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Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1S)-1-(4-bromophenyl)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) 1.41 6.72 -19.75 1 4 0 55 321.174 3 ↓

Analogs

42157955
42157955

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[(1R)-1-(4-bromophenyl)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) 1.41 6.71 -19.72 1 4 0 55 321.174 3 ↓

Parameters Provided:

ring.id = 29533
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 = 29533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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