UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

17073079
17073079
6398393
6398393

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Popular Name: 1-methyl-4-(4-propoxybenzoyl)piperazine 1-methyl-4-(4-propoxybenzoyl)pip…

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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 0.7 -45.66 1 4 1 33 263.361 4 ↓

Analogs

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Popular Name: (3,5-dimethoxy-4-methyl-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (3,5-dimethoxy-4-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) 0.59 2.37 -18.27 0 7 0 76 342.417 4 ↓

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) 0.34 3.29 -11.68 2 6 0 76 311.769 4 ↓
Lo Low (pH 4.5-6) 0.34 5.42 -45.87 3 6 1 77 312.777 4 ↓

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) 0.75 3.51 -9.97 2 6 0 76 311.769 4 ↓
Lo Low (pH 4.5-6) 0.75 5.64 -46.77 3 6 1 77 312.777 4 ↓

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) 0.34 3.3 -12.02 2 6 0 76 311.769 4 ↓
Lo Low (pH 4.5-6) 0.34 5.43 -45.7 3 6 1 77 312.777 4 ↓

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) 0.75 3.44 -10.29 2 6 0 76 311.769 4 ↓
Lo Low (pH 4.5-6) 0.75 5.58 -45.61 3 6 1 77 312.777 4 ↓

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) 0.49 3.46 -12.23 2 6 0 76 291.351 4 ↓
Lo Low (pH 4.5-6) 0.49 5.59 -46.64 3 6 1 77 292.359 4 ↓

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) 0.49 3.73 -10.98 2 6 0 76 291.351 4 ↓
Lo Low (pH 4.5-6) 0.49 5.86 -45.57 3 6 1 77 292.359 4 ↓

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) 0.49 3.48 -11.78 2 6 0 76 291.351 4 ↓
Lo Low (pH 4.5-6) 0.49 5.61 -47.11 3 6 1 77 292.359 4 ↓

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) 0.23 2.88 -10.12 2 6 0 76 295.314 4 ↓
Lo Low (pH 4.5-6) 0.23 5 -46.98 3 6 1 77 296.322 4 ↓

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) -0.17 2.83 -16.05 2 6 0 76 295.314 4 ↓
Lo Low (pH 4.5-6) -0.17 4.96 -50.75 3 6 1 77 296.322 4 ↓

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) 0.88 3.5 -9.69 2 6 0 76 356.22 4 ↓
Lo Low (pH 4.5-6) 0.88 5.62 -46.28 3 6 1 77 357.228 4 ↓

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) -0.85 0.81 -12.16 4 7 0 102 292.339 4 ↓
Lo Low (pH 4.5-6) -0.85 2.94 -46.07 5 7 1 103 293.347 4 ↓

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) -1.26 0.65 -11.64 4 7 0 102 292.339 4 ↓
Lo Low (pH 4.5-6) -1.26 2.78 -45.83 5 7 1 103 293.347 4 ↓

Analogs

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Popular Name: (2-amino-5-chloro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (2-amino-5-chloro-phenyl)-(4-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) 0.26 1.48 -14.14 2 6 0 84 317.798 2 ↓

Analogs

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Popular Name: (3-amino-2-methyl-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (3-amino-2-methyl-phenyl)-(4-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) 0.01 1.51 -14.32 2 6 0 84 297.38 2 ↓

Analogs

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Popular Name: (2-amino-6-methyl-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (2-amino-6-methyl-phenyl)-(4-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) 0.01 1.5 -14.5 2 6 0 84 297.38 2 ↓

Analogs

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Popular Name: (3-amino-4-fluoro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (3-amino-4-fluoro-phenyl)-(4-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) -0.25 0.89 -16.63 2 6 0 84 301.343 2 ↓

Analogs

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Popular Name: (2,4-diaminophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (2,4-diaminophenyl)-(4-methylsul…

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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) -1.34 -1.16 -16.02 4 7 0 110 298.368 2 ↓

Analogs

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Popular Name: (3-amino-4,5-dichloro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (3-amino-4,5-dichloro-phenyl)-(4…

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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) 0.87 1.83 -17.48 2 6 0 84 352.243 2 ↓

Analogs

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Popular Name: (5-amino-2,4-difluoro-phenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (5-amino-2,4-difluoro-phenyl)-(4…

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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) -0.16 0.96 -19.65 2 6 0 84 319.333 2 ↓

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) 0.33 3.55 -11.84 2 6 0 76 297.742 2 ↓

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) 0.73 3.75 -9.04 2 6 0 76 297.742 2 ↓

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) 0.33 3.56 -12.25 2 6 0 76 297.742 2 ↓

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) 0.73 3.74 -9.15 2 6 0 76 297.742 2 ↓

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) 0.11 2.43 -11.43 2 7 0 85 293.323 3 ↓

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) 0.48 3.75 -10.46 2 6 0 76 277.324 2 ↓

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) 0.48 3.99 -9.58 2 6 0 76 277.324 2 ↓

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) 0.48 3.73 -10.16 2 6 0 76 277.324 2 ↓

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) 0.22 3.15 -11.41 2 6 0 76 281.287 2 ↓

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) -0.19 3.14 -13.52 2 6 0 76 281.287 2 ↓

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) 0.60 3.83 -12.02 2 6 0 76 295.314 2 ↓

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) 0.11 2.5 -10.35 2 7 0 85 293.323 3 ↓

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) 0.87 3.77 -10.82 2 6 0 76 342.193 2 ↓

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) 0.25 2.67 -13.39 2 7 0 85 293.323 3 ↓

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) -0.87 1.11 -10.38 4 7 0 102 278.312 2 ↓

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) -1.27 0.91 -12.28 4 7 0 102 278.312 2 ↓

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) 1.34 4.1 -11.7 2 6 0 76 332.187 2 ↓

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) 0.31 3.23 -12.31 2 6 0 76 299.277 2 ↓

Analogs

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Popular Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(1R)-1-methylbutyl]acetamide 2-[4-(2,4-dichlorobenzoyl)pipera…

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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) 3.46 6.87 -13.44 1 5 0 53 386.323 6 ↓
Mid Mid (pH 6-8) 3.46 9.02 -49.71 2 5 1 54 387.331 6 ↓

Analogs

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Popular Name: 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[(1S)-1-methylbutyl]acetamide 2-[4-(2,4-dichlorobenzoyl)pipera…

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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) 3.46 6.87 -10.88 1 5 0 53 386.323 6 ↓
Mid Mid (pH 6-8) 3.46 9.02 -46.88 2 5 1 54 387.331 6 ↓

Analogs

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Popular Name: 4-(5-amino-2-chloro-benzoyl)piperazine-1-sulfonamide 4-(5-amino-2-chloro-benzoyl)pipe…

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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) -0.76 -1.32 -14.94 4 7 0 110 318.786 2 ↓
Hi High (pH 8-9.5) -0.76 -0.83 -43.77 3 7 -1 107 317.778 2 ↓

Analogs

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Popular Name: 4-(2-amino-4-chloro-benzoyl)piperazine-1-sulfonamide 4-(2-amino-4-chloro-benzoyl)pipe…

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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) -0.35 -1.12 -12.44 4 7 0 110 318.786 2 ↓
Hi High (pH 8-9.5) -0.35 -0.63 -39.55 3 7 -1 107 317.778 2 ↓

Analogs

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Popular Name: 4-(4-amino-2-chloro-benzoyl)piperazine-1-sulfonamide 4-(4-amino-2-chloro-benzoyl)pipe…

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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) -0.76 -1.31 -15.36 4 7 0 110 318.786 2 ↓
Hi High (pH 8-9.5) -0.76 -0.82 -44.34 3 7 -1 107 317.778 2 ↓

Analogs

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Popular Name: 4-(2-amino-5-chloro-benzoyl)piperazine-1-sulfonamide 4-(2-amino-5-chloro-benzoyl)pipe…

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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) -0.35 -1.13 -12.7 4 7 0 110 318.786 2 ↓
Hi High (pH 8-9.5) -0.35 -0.64 -40.59 3 7 -1 107 317.778 2 ↓

Analogs

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Popular Name: 4-(3-amino-4-methoxy-benzoyl)piperazine-1-sulfonamide 4-(3-amino-4-methoxy-benzoyl)pip…

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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 -2.42 -14.9 4 8 0 119 314.367 3 ↓
Hi High (pH 8-9.5) -0.98 -1.93 -42.68 3 8 -1 116 313.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-2-methyl-benzoyl)piperazine-1-sulfonamide 4-(3-amino-2-methyl-benzoyl)pipe…

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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) -0.61 -1.12 -13.99 4 7 0 110 298.368 2 ↓
Hi High (pH 8-9.5) -0.61 -0.63 -42.67 3 7 -1 107 297.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-3-methyl-benzoyl)piperazine-1-sulfonamide 4-(2-amino-3-methyl-benzoyl)pipe…

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Activity (Go SEA)

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) -0.61 -0.88 -13.14 4 7 0 110 298.368 2 ↓
Hi High (pH 8-9.5) -0.61 -0.39 -41.3 3 7 -1 107 297.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-amino-6-methyl-benzoyl)piperazine-1-sulfonamide 4-(2-amino-6-methyl-benzoyl)pipe…

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Activity (Go SEA)

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) -0.61 -1.14 -13.96 4 7 0 110 298.368 2 ↓
Hi High (pH 8-9.5) -0.61 -0.65 -41.71 3 7 -1 107 297.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-amino-4-fluoro-benzoyl)piperazine-1-sulfonamide 4-(3-amino-4-fluoro-benzoyl)pipe…

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Activity (Go SEA)

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) -0.87 -1.74 -13.9 4 7 0 110 302.331 2 ↓
Hi High (pH 8-9.5) -0.87 -1.25 -40.93 3 7 -1 107 301.323 2 ↓

Parameters Provided:

ring.id = 3938
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 = 3938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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