UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 4-{[(2-fluorophenyl)sulfonyl]methyl}pyridine 4-{[(2-fluorophenyl)sulfonyl]met…

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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) 1.67 4.21 -13.22 0 3 0 47 251.282 3 ↓

Analogs

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Popular Name: 4-ethyl-3-(4-pyridylmethylsulfonyl)benzoic 4-ethyl-3-(4-pyridylmethylsulfon…

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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) 2.31 5.94 -59.2 0 5 -1 87 304.347 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-(4-pyridylmethylsulfonyl)benzoic 2,4-dimethyl-5-(4-pyridylmethyls…

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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) 1.88 5.99 -62.05 0 5 -1 87 304.347 4 ↓

Analogs

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Popular Name: 2-methoxy-5-(4-pyridylmethylsulfonyl)benzoic 2-methoxy-5-(4-pyridylmethylsulf…

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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) 1.09 4.81 -61.61 0 6 -1 96 306.319 5 ↓

Analogs

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Popular Name: 5-bromo-2-fluoro-3-(4-pyridylmethylsulfonyl)benzoic 5-bromo-2-fluoro-3-(4-pyridylmet…

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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) 1.95 5.35 -48.92 0 5 -1 87 373.179 4 ↓

Analogs

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Popular Name: 2-bromo-5-(4-pyridylmethylsulfonyl)benzoic 2-bromo-5-(4-pyridylmethylsulfon…

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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) 1.42 5.23 -53.31 0 5 -1 87 355.189 4 ↓

Analogs

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Popular Name: 5-chloro-2-fluoro-3-(4-pyridylmethylsulfonyl)benzoic 5-chloro-2-fluoro-3-(4-pyridylme…

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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) 1.82 5.24 -49.02 0 5 -1 87 328.728 4 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-(4-pyridylmethylsulfonyl)benzoic 3,4-dimethyl-5-(4-pyridylmethyls…

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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) 2.22 5.88 -61.93 0 5 -1 87 304.347 4 ↓

Analogs

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Popular Name: 2-methyl-5-(4-pyridylmethylsulfonyl)benzoic 2-methyl-5-(4-pyridylmethylsulfo…

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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) 1.06 5.39 -57.4 0 5 -1 87 290.32 4 ↓

Analogs

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Popular Name: 2,6-dichloro-3-(4-pyridylmethylsulfonyl)benzoic 2,6-dichloro-3-(4-pyridylmethyls…

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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) 2.34 5.42 -48.6 0 5 -1 87 345.183 4 ↓

Analogs

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Popular Name: 2,4-dichloro-5-(4-pyridylmethylsulfonyl)benzoic 2,4-dichloro-5-(4-pyridylmethyls…

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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) 2.34 5.54 -48.82 0 5 -1 87 345.183 4 ↓

Analogs

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Popular Name: 4-methyl-3-(4-pyridylmethylsulfonyl)benzoic 4-methyl-3-(4-pyridylmethylsulfo…

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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) 1.84 5.37 -60.69 0 5 -1 87 290.32 4 ↓

Analogs

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Popular Name: 3-[4-(4-pyridylmethylsulfonyl)phenyl]propanoic 3-[4-(4-pyridylmethylsulfonyl)ph…

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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) 1.06 6.33 -52.15 0 5 -1 87 304.347 6 ↓

Analogs

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Popular Name: 2-fluoro-5-(4-pyridylmethylsulfonyl)benzoic 2-fluoro-5-(4-pyridylmethylsulfo…

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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 4.77 -57.83 0 5 -1 87 294.283 4 ↓

Analogs

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Popular Name: 4-fluoro-3-(4-pyridylmethylsulfonyl)benzoic 4-fluoro-3-(4-pyridylmethylsulfo…

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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) 1.55 4.77 -51.5 0 5 -1 87 294.283 4 ↓

Analogs

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Popular Name: 2,6-difluoro-3-(4-pyridylmethylsulfonyl)benzoic 2,6-difluoro-3-(4-pyridylmethyls…

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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) 1.31 4.77 -56.34 0 5 -1 87 312.273 4 ↓

Analogs

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Popular Name: 4-chloro-3-(4-pyridylmethylsulfonyl)benzoic 4-chloro-3-(4-pyridylmethylsulfo…

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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) 2.07 5.15 -51.09 0 5 -1 87 310.738 4 ↓

Analogs

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Popular Name: 2-chloro-5-(4-pyridylmethylsulfonyl)benzoic 2-chloro-5-(4-pyridylmethylsulfo…

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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) 1.29 5.13 -54.22 0 5 -1 87 310.738 4 ↓

Analogs

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Popular Name: 4-bromo-3-(4-pyridylmethylsulfonyl)benzoic 4-bromo-3-(4-pyridylmethylsulfon…

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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) 2.20 5.25 -50.72 0 5 -1 87 355.189 4 ↓

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