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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)acetamide N-(4-aminophenyl)sulfonyl-N-(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) -0.02 -1.13 -19.68 2 8 0 115 322.346 4 ↓

Analogs

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Popular Name: 4-amino-2-nitro-N-pyrazin-2-yl-benzenesulfonamide 4-amino-2-nitro-N-pyrazin-2-yl-b…

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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 1.21 -54.5 2 9 -1 146 294.272 4 ↓
Lo Low (pH 4.5-6) 0.08 1.23 -16.42 3 9 0 144 295.28 4 ↓

Analogs

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Popular Name: 2-amino-5-nitro-N-pyrazin-2-yl-benzenesulfonamide 2-amino-5-nitro-N-pyrazin-2-yl-b…

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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 0.86 -43.45 2 9 -1 146 294.272 4 ↓
Mid Mid (pH 6-8) 0.49 0.94 -17.16 3 9 0 144 295.28 4 ↓

Analogs

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Popular Name: 2-amino-4-nitro-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4-nitro-N-pyrazin-2-yl-b…

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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 0.85 -36.66 2 9 -1 146 294.272 4 ↓
Mid Mid (pH 6-8) 0.49 0.89 -13.36 3 9 0 144 295.28 4 ↓

Analogs

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Popular Name: 5-amino-2-nitro-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2-nitro-N-pyrazin-2-yl-b…

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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 1.21 -55.85 2 9 -1 146 294.272 4 ↓
Lo Low (pH 4.5-6) 0.08 1.26 -17.21 3 9 0 144 295.28 4 ↓

Analogs

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Popular Name: 4-(methylamino)-2-nitro-N-pyrazin-2-yl-benzenesulfonamide 4-(methylamino)-2-nitro-N-pyrazi…

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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) 0.86 2.15 -53.9 1 9 -1 132 308.299 5 ↓
Mid Mid (pH 6-8) 0.86 2.15 -15.71 2 9 0 130 309.307 5 ↓

Analogs

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Popular Name: 2-(methylamino)-5-nitro-N-pyrazin-2-yl-benzenesulfonamide 2-(methylamino)-5-nitro-N-pyrazi…

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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) 0.86 1.87 -16.76 2 9 0 130 309.307 5 ↓
Mid Mid (pH 6-8) 0.86 1.82 -44.68 1 9 -1 132 308.299 5 ↓

Analogs

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Popular Name: 2-(methylamino)-4-nitro-N-pyrazin-2-yl-benzenesulfonamide 2-(methylamino)-4-nitro-N-pyrazi…

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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) 0.86 1.86 -13.21 2 9 0 130 309.307 5 ↓
Mid Mid (pH 6-8) 0.86 1.81 -37.7 1 9 -1 132 308.299 5 ↓

Analogs

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Popular Name: 4-(methylamino)-3-nitro-N-pyrazin-2-yl-benzenesulfonamide 4-(methylamino)-3-nitro-N-pyrazi…

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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) 0.86 1.66 -44.97 1 9 -1 132 308.299 5 ↓
Mid Mid (pH 6-8) 0.86 2.08 -15.26 2 9 0 130 309.307 5 ↓

Analogs

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Popular Name: 4-(ethylamino)-N-pyrazin-2-yl-benzenesulfonamide 4-(ethylamino)-N-pyrazin-2-yl-be…

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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 1.94 -12.4 2 6 0 84 278.337 5 ↓
Mid Mid (pH 6-8) 1.35 1.52 -47.1 1 6 -1 86 277.329 5 ↓

Analogs

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Popular Name: 4-(propylamino)-N-pyrazin-2-yl-benzenesulfonamide 4-(propylamino)-N-pyrazin-2-yl-b…

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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) 1.86 2.7 -12.21 2 6 0 84 292.364 6 ↓
Mid Mid (pH 6-8) 1.86 2.27 -46.86 1 6 -1 86 291.356 6 ↓

Analogs

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Popular Name: 2-(methylamino)-N-pyrazin-2-yl-benzenesulfonamide 2-(methylamino)-N-pyrazin-2-yl-b…

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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) 0.93 1.16 -12.93 2 6 0 84 264.31 4 ↓
Hi High (pH 8-9.5) 0.93 1.1 -46.75 1 6 -1 86 263.302 4 ↓

Analogs

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Popular Name: 2-(ethylamino)-N-pyrazin-2-yl-benzenesulfonamide 2-(ethylamino)-N-pyrazin-2-yl-be…

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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 1.99 -12.67 2 6 0 84 278.337 5 ↓
Mid Mid (pH 6-8) 1.31 1.92 -47.18 1 6 -1 86 277.329 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(propylamino)-N-pyrazin-2-yl-benzenesulfonamide 2-(propylamino)-N-pyrazin-2-yl-b…

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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) 1.81 2.76 -12.41 2 6 0 84 292.364 6 ↓
Mid Mid (pH 6-8) 1.81 2.66 -47.23 1 6 -1 86 291.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(methylamino)-2-nitro-N-pyrazin-2-yl-benzenesulfonamide 5-(methylamino)-2-nitro-N-pyrazi…

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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) 0.86 2.12 -55.39 1 9 -1 132 308.299 5 ↓
Lo Low (pH 4.5-6) 0.86 2.19 -16.41 2 9 0 130 309.307 5 ↓

Analogs

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Popular Name: 2-amino-5-methylsulfonyl-N-pyrazin-2-yl-benzenesulfonamide 2-amino-5-methylsulfonyl-N-pyraz…

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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 -2.31 -51.9 2 8 -1 134 327.367 4 ↓
Mid Mid (pH 6-8) -0.60 -2.23 -22.41 3 8 0 132 328.375 4 ↓

Analogs

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Popular Name: 2-amino-6-fluoro-4-nitro-N-pyrazin-2-yl-benzenesulfonamide 2-amino-6-fluoro-4-nitro-N-pyraz…

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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) 0.58 1.09 -38.15 2 9 -1 146 312.262 4 ↓
Lo Low (pH 4.5-6) 0.58 1.5 -13.58 3 9 0 144 313.27 4 ↓

Analogs

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Popular Name: 3-amino-N-pyrazin-2-yl-benzenesulfonamide 3-amino-N-pyrazin-2-yl-benzenesu…

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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 -0.21 -47.5 2 6 -1 100 249.275 3 ↓
Mid Mid (pH 6-8) 0.17 0.21 -12.82 3 6 0 98 250.283 3 ↓

Analogs

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Popular Name: 2-amino-6-methyl-N-pyrazin-2-yl-benzenesulfonamide 2-amino-6-methyl-N-pyrazin-2-yl-…

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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) 0.96 2.01 -11.3 3 6 0 98 264.31 3 ↓
Mid Mid (pH 6-8) 0.96 1.13 -44.18 2 6 -1 100 263.302 3 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-pyrazin-2-yl-benzenesulfonamide 4-amino-2-chloro-N-pyrazin-2-yl-…

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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) 0.80 0.34 -47.75 2 6 -1 100 283.72 3 ↓
Mid Mid (pH 6-8) 0.80 0.4 -12.82 3 6 0 98 284.728 3 ↓

Analogs

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Popular Name: 3-amino-4-hydroxy-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4-hydroxy-N-pyrazin-2-yl…

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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 -2.53 -13.38 4 7 0 118 266.282 3 ↓
Mid Mid (pH 6-8) 0.31 -2.95 -45.89 3 7 -1 120 265.274 3 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4-fluoro-N-pyrazin-2-yl-…

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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) 0.70 -0.12 -41.65 2 6 -1 100 267.265 3 ↓
Mid Mid (pH 6-8) 0.70 0.3 -11.95 3 6 0 98 268.273 3 ↓

Analogs

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Popular Name: 2-amino-4-methoxy-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4-methoxy-N-pyrazin-2-yl…

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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 -0.51 -13.21 3 7 0 107 280.309 4 ↓
Mid Mid (pH 6-8) 0.59 -0.55 -43.75 2 7 -1 109 279.301 4 ↓

Analogs

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Popular Name: 2-amino-4,5-dimethyl-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4,5-dimethyl-N-pyrazin-2…

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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 1.43 -13.05 3 6 0 98 278.337 3 ↓
Mid Mid (pH 6-8) 1.36 1.35 -46.55 2 6 -1 100 277.329 3 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4-chloro-N-pyrazin-2-yl-…

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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) 1.21 0.71 -11.52 3 6 0 98 284.728 3 ↓
Mid Mid (pH 6-8) 1.21 0.66 -40.16 2 6 -1 100 283.72 3 ↓

Analogs

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Popular Name: 5-amino-2-methyl-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2-methyl-N-pyrazin-2-yl-…

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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 0.56 -47.26 2 6 -1 100 263.302 3 ↓
Mid Mid (pH 6-8) 0.57 0.63 -12.86 3 6 0 98 264.31 3 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2-chloro-N-pyrazin-2-yl-…

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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) 0.80 0.34 -47.53 2 6 -1 100 283.72 3 ↓
Lo Low (pH 4.5-6) 0.80 0.4 -12.56 3 6 0 98 284.728 3 ↓

Analogs

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Popular Name: 5-amino-2-methoxy-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2-methoxy-N-pyrazin-2-yl…

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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) 0.18 -0.45 -53.09 2 7 -1 109 279.301 4 ↓
Mid Mid (pH 6-8) 0.18 -0.41 -14.32 3 7 0 107 280.309 4 ↓

Analogs

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Popular Name: 5-amino-2,4-difluoro-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2,4-difluoro-N-pyrazin-2…

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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 -0.07 -43.73 2 6 -1 100 285.255 3 ↓
Mid Mid (pH 6-8) 0.79 -0 -11.51 3 6 0 98 286.263 3 ↓

Analogs

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Popular Name: 3-amino-4,5-dimethyl-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4,5-dimethyl-N-pyrazin-2…

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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 1.11 -49.13 2 6 -1 100 277.329 3 ↓
Mid Mid (pH 6-8) 1.36 1.53 -13.06 3 6 0 98 278.337 3 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4-chloro-N-pyrazin-2-yl-…

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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) 1.21 0.36 -42.18 2 6 -1 100 283.72 3 ↓
Mid Mid (pH 6-8) 1.21 0.79 -11.64 3 6 0 98 284.728 3 ↓

Analogs

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Popular Name: 3-amino-4-methyl-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4-methyl-N-pyrazin-2-yl-…

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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 0.56 -47.97 2 6 -1 100 263.302 3 ↓
Mid Mid (pH 6-8) 0.98 0.99 -12.94 3 6 0 98 264.31 3 ↓

Analogs

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Popular Name: 5-amino-2,3-dimethyl-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2,3-dimethyl-N-pyrazin-2…

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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) 0.95 1.12 -48.13 2 6 -1 100 277.329 3 ↓
Mid Mid (pH 6-8) 0.95 1.15 -12.98 3 6 0 98 278.337 3 ↓

Analogs

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Popular Name: 3-amino-2-methyl-N-pyrazin-2-yl-benzenesulfonamide 3-amino-2-methyl-N-pyrazin-2-yl-…

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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) 0.96 0.66 -47.09 2 6 -1 100 263.302 3 ↓
Mid Mid (pH 6-8) 0.96 0.74 -13.02 3 6 0 98 264.31 3 ↓

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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) 0.70 0.79 -41.58 2 8 -1 126 307.311 5 ↓
Mid Mid (pH 6-8) 0.70 0.83 -14.03 3 8 0 124 308.319 5 ↓

Analogs

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Popular Name: 3-amino-4-methoxy-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4-methoxy-N-pyrazin-2-yl…

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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 -0.8 -45.97 2 7 -1 109 279.301 4 ↓
Mid Mid (pH 6-8) 0.59 -0.38 -13.06 3 7 0 107 280.309 4 ↓

Analogs

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Popular Name: 3-amino-5-chloro-4-methyl-N-pyrazin-2-yl-benzenesulfonamide 3-amino-5-chloro-4-methyl-N-pyra…

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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) 1.59 0.99 -45.07 2 6 -1 100 297.747 3 ↓
Mid Mid (pH 6-8) 1.59 1.41 -12.29 3 6 0 98 298.755 3 ↓

Analogs

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Popular Name: 2-amino-4-fluoro-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4-fluoro-N-pyrazin-2-yl-…

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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) 0.70 0.25 -11.76 3 6 0 98 268.273 3 ↓
Mid Mid (pH 6-8) 0.70 0.22 -39.58 2 6 -1 100 267.265 3 ↓

Analogs

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Popular Name: 2-amino-N-pyrazin-2-yl-benzenesulfonamide 2-amino-N-pyrazin-2-yl-benzenesu…

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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) 0.56 0.19 -12.76 3 6 0 98 250.283 3 ↓
Mid Mid (pH 6-8) 0.56 0.14 -45.33 2 6 -1 100 249.275 3 ↓

Analogs

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Popular Name: 3-amino-4-ethyl-N-pyrazin-2-yl-benzenesulfonamide 3-amino-4-ethyl-N-pyrazin-2-yl-b…

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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) 1.45 1.31 -47.6 2 6 -1 100 277.329 4 ↓
Mid Mid (pH 6-8) 1.45 1.73 -12.65 3 6 0 98 278.337 4 ↓

Analogs

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Popular Name: 4-amino-2-cyano-N-pyrazin-2-yl-benzenesulfonamide 4-amino-2-cyano-N-pyrazin-2-yl-b…

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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) -0.12 0.06 -52.14 2 7 -1 124 274.285 3 ↓
Lo Low (pH 4.5-6) -0.12 0.13 -15.25 3 7 0 122 275.293 3 ↓

Analogs

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Popular Name: 6-amino-2,3-dimethyl-N-pyrazin-2-yl-benzenesulfonamide 6-amino-2,3-dimethyl-N-pyrazin-2…

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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 2.31 -11.53 3 6 0 98 278.337 3 ↓
Mid Mid (pH 6-8) 1.36 1.69 -44.67 2 6 -1 100 277.329 3 ↓

Analogs

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Popular Name: 4-amino-2-methoxy-N-pyrazin-2-yl-benzenesulfonamide 4-amino-2-methoxy-N-pyrazin-2-yl…

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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) 0.18 -0.4 -14.78 3 7 0 107 280.309 4 ↓
Mid Mid (pH 6-8) 0.18 -0.44 -53.33 2 7 -1 109 279.301 4 ↓

Analogs

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Popular Name: 5-amino-2-ethyl-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2-ethyl-N-pyrazin-2-yl-b…

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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) 1.04 1.51 -45.8 2 6 -1 100 277.329 4 ↓
Mid Mid (pH 6-8) 1.04 1.53 -12.57 3 6 0 98 278.337 4 ↓

Analogs

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Popular Name: 2-amino-4,6-dichloro-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4,6-dichloro-N-pyrazin-2…

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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 1.43 -39.33 2 6 -1 100 318.165 3 ↓
Mid Mid (pH 6-8) 1.82 2.35 -9.87 3 6 0 98 319.173 3 ↓

Analogs

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Popular Name: 3-amino-5-methyl-N-pyrazin-2-yl-benzenesulfonamide 3-amino-5-methyl-N-pyrazin-2-yl-…

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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 0.44 -48.07 2 6 -1 100 263.302 3 ↓
Mid Mid (pH 6-8) 0.57 0.87 -12.85 3 6 0 98 264.31 3 ↓

Analogs

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Popular Name: 5-amino-2-fluoro-N-pyrazin-2-yl-benzenesulfonamide 5-amino-2-fluoro-N-pyrazin-2-yl-…

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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 -0.15 -50.6 2 6 -1 100 267.265 3 ↓
Mid Mid (pH 6-8) 0.29 -0.11 -13.51 3 6 0 98 268.273 3 ↓

Analogs

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Popular Name: 4-amino-2-bromo-N-pyrazin-2-yl-benzenesulfonamide 4-amino-2-bromo-N-pyrazin-2-yl-b…

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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) 0.93 0.48 -46.99 2 6 -1 100 328.171 3 ↓
Mid Mid (pH 6-8) 0.93 0.53 -12.59 3 6 0 98 329.179 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-methyl-N-pyrazin-2-yl-benzenesulfonamide 2-amino-4-methyl-N-pyrazin-2-yl-…

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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 0.85 -12.74 3 6 0 98 264.31 3 ↓
Mid Mid (pH 6-8) 0.98 0.81 -45.49 2 6 -1 100 263.302 3 ↓

Analogs

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Popular Name: 4-amino-2-methyl-N-pyrazin-2-yl-benzenesulfonamide 4-amino-2-methyl-N-pyrazin-2-yl-…

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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 0.62 -13.12 3 6 0 98 264.31 3 ↓
Mid Mid (pH 6-8) 0.57 0.55 -47.34 2 6 -1 100 263.302 3 ↓

Parameters Provided:

ring.id = 12042
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 = 12042 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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