UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-1-oxido-pyridine-4-carboxamide N-(4-methylsulfanylphenyl)-1-oxi…

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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) 0.78 -0.24 -21.48 1 4 0 55 260.318 3 ↓

Analogs

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Popular Name: 1-oxido-N-(2-propoxyphenyl)pyridin-1-ium-4-carboxamide 1-oxido-N-(2-propoxyphenyl)pyrid…

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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) 1.23 6.29 -17.96 1 5 0 64 272.304 5 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 0.05 3.51 -25.64 2 8 0 102 331.328 7 ↓

Analogs

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Popular Name: N-[3-[(1S)-1-methylsulfanylethyl]phenyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[3-[(1S)-1-methylsulfanylethyl…

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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) 1.18 7.49 -20.83 1 4 0 55 288.372 4 ↓

Analogs

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Popular Name: N-[3-[(1R)-1-methylsulfanylethyl]phenyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[3-[(1R)-1-methylsulfanylethyl…

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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) 1.18 7.49 -20.35 1 4 0 55 288.372 4 ↓

Analogs

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Popular Name: N-(3-chloro-2-methoxy-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(3-chloro-2-methoxy-phenyl)-1-…

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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) 0.98 5.21 -18.42 1 5 0 64 278.695 3 ↓

Analogs

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Popular Name: N-(3-chloro-2-ethoxy-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(3-chloro-2-ethoxy-phenyl)-1-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) 1.36 6.17 -18.1 1 5 0 64 292.722 4 ↓

Analogs

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Popular Name: N-(2,3-difluorophenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2,3-difluorophenyl)-1-oxido-p…

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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) 0.57 5.3 -18.8 1 4 0 55 250.204 2 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(3-bromophenyl)-1-oxido-pyridi…

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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) 1.13 5.75 -21.67 1 4 0 55 293.12 2 ↓

Analogs

15076726
15076726

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Popular Name: N-(m-tolyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(m-tolyl)-1-oxido-pyridin-1-iu…

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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) 0.77 5.8 -19.73 1 4 0 55 228.251 2 ↓

Analogs

46868890
46868890
46869011
46869011
46869112
46869112
25384817
25384817

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Popular Name: N-(2-methyl-3-nitro-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2-methyl-3-nitro-phenyl)-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) 0.65 6.62 -22.72 1 7 0 100 273.248 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(4-chloro-2-methoxy-5-methyl-p…

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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) 1.38 5.66 -18.38 1 5 0 64 292.722 3 ↓

Analogs

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Popular Name: N-(4-ethylphenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(4-ethylphenyl)-1-oxido-pyridi…

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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 6.55 -19.66 1 4 0 55 242.278 3 ↓

Analogs

14428068
14428068

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Popular Name: N-(2,6-diethylphenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2,6-diethylphenyl)-1-oxido-py…

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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) 1.14 8.22 -19.02 1 4 0 55 270.332 4 ↓

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2-fluoro-5-methyl-phenyl)-1-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) 0.88 5.92 -17.96 1 4 0 55 246.241 2 ↓

Analogs

3206890
3206890

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Popular Name: N-(2,6-dimethylphenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2,6-dimethylphenyl)-1-oxido-p…

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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) 0.21 6.99 -19.65 1 4 0 55 242.278 2 ↓

Analogs

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Popular Name: N-[2-(difluoromethoxy)phenyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[2-(difluoromethoxy)phenyl]-1-…

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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) 0.91 4.83 -20.71 1 5 0 64 280.23 4 ↓

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2-fluoro-4-methyl-phenyl)-1-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) 0.88 5.93 -17.7 1 4 0 55 246.241 2 ↓

Analogs

36742408
36742408

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Popular Name: N-(4-bromo-2-methyl-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(4-bromo-2-methyl-phenyl)-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) 1.53 6.63 -20.08 1 4 0 55 307.147 2 ↓

Analogs

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Popular Name: N-[2-(2-amino-2-oxo-ethyl)phenyl]-1-oxido-pyridin-1-ium-4-carboxamide N-[2-(2-amino-2-oxo-ethyl)phenyl…

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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) -0.79 2.79 -24.7 3 6 0 98 271.276 4 ↓

Analogs

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Popular Name: N-(4-carbamoyl-2-methyl-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(4-carbamoyl-2-methyl-phenyl)-…

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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) -0.46 2.8 -25.14 3 6 0 98 271.276 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-iodo-phenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2-chloro-4-iodo-phenyl)-1-oxi…

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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) 2.03 6.85 -16.8 1 4 0 55 374.565 2 ↓

Analogs

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Popular Name: N-(2-acetylphenyl)-1-oxido-pyridin-1-ium-4-carboxamide N-(2-acetylphenyl)-1-oxido-pyrid…

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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) 0.19 6.07 -19.11 1 5 0 72 256.261 3 ↓

Parameters Provided:

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filter.purchasability = annotated
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