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Analogs

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Popular Name: 4-(ethylamino)-N-[(1S)-1-(2-pyridyl)ethyl]benzenesulfonamide 4-(ethylamino)-N-[(1S)-1-(2-pyri…

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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 3.2 -11.23 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 2.03 3.41 -39.93 3 5 1 72 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-[(1R)-1-(2-pyridyl)ethyl]benzenesulfonamide 4-(ethylamino)-N-[(1R)-1-(2-pyri…

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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 3.13 -11.47 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 2.03 3.34 -38.8 3 5 1 72 306.411 6 ↓

Analogs

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Popular Name: 2-(methylamino)-N-[(1S)-1-(2-pyridyl)ethyl]benzenesulfonamide 2-(methylamino)-N-[(1S)-1-(2-pyr…

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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) 1.60 2.91 -10.56 2 5 0 71 291.376 5 ↓
Lo Low (pH 4.5-6) 1.60 3.11 -40.34 3 5 1 72 292.384 5 ↓

Analogs

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Popular Name: 2-(methylamino)-N-[(1R)-1-(2-pyridyl)ethyl]benzenesulfonamide 2-(methylamino)-N-[(1R)-1-(2-pyr…

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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) 1.60 2.8 -12.34 2 5 0 71 291.376 5 ↓
Lo Low (pH 4.5-6) 1.60 3.1 -37.83 3 5 1 72 292.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-[(1S)-1-(2-pyridyl)ethyl]benzenesulfonamide 2-(ethylamino)-N-[(1S)-1-(2-pyri…

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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) 1.98 3.72 -10.3 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 1.98 3.92 -40.3 3 5 1 72 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-[(1R)-1-(2-pyridyl)ethyl]benzenesulfonamide 2-(ethylamino)-N-[(1R)-1-(2-pyri…

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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) 1.98 3.6 -12.04 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 1.98 3.91 -37.57 3 5 1 72 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylamino)-N-methyl-N-(2-pyridylmethyl)benzenesulfonamide 4-(ethylamino)-N-methyl-N-(2-pyr…

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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) 1.71 4.59 -11.56 1 5 0 62 305.403 6 ↓
Lo Low (pH 4.5-6) 1.71 4.31 -40.42 2 5 1 64 306.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(methylamino)-N-(2-pyridylmethyl)benzenesulfonamide N-methyl-2-(methylamino)-N-(2-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) 1.29 3.83 -13.95 1 5 0 62 291.376 5 ↓
Lo Low (pH 4.5-6) 1.29 4.26 -43.57 2 5 1 64 292.384 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(ethylamino)-N-methyl-N-(2-pyridylmethyl)benzenesulfonamide 2-(ethylamino)-N-methyl-N-(2-pyr…

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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) 1.66 4.65 -13.87 1 5 0 62 305.403 6 ↓
Lo Low (pH 4.5-6) 1.66 5.08 -43.43 2 5 1 64 306.411 6 ↓

Analogs

35633474
35633474

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Popular Name: 3-[(1S)-1-(methylamino)ethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1S)-1-(methylamino)ethyl]-N-…

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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) 1.33 3.21 -54.53 3 5 1 76 306.411 6 ↓
Hi High (pH 8-9.5) 1.33 2.03 -11.58 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 1.33 3.24 -72.09 3 5 1 79 306.411 6 ↓

Analogs

35633473
35633473

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Popular Name: 3-[(1R)-1-(methylamino)ethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1R)-1-(methylamino)ethyl]-N-…

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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) 1.33 3.21 -52.43 3 5 1 76 306.411 6 ↓
Hi High (pH 8-9.5) 1.33 2.03 -12.45 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 1.33 3.23 -70.3 3 5 1 79 306.411 6 ↓

Analogs

35633476
35633476

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Popular Name: 4-[(1S)-1-(methylamino)ethyl]-N-(2-pyridylmethyl)benzenesulfonamide 4-[(1S)-1-(methylamino)ethyl]-N-…

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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 3.22 -55.17 3 5 1 76 306.411 6 ↓
Hi High (pH 8-9.5) 1.35 2.04 -11.56 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 1.35 3.26 -72.64 3 5 1 79 306.411 6 ↓

Analogs

35633475
35633475

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Popular Name: 4-[(1R)-1-(methylamino)ethyl]-N-(2-pyridylmethyl)benzenesulfonamide 4-[(1R)-1-(methylamino)ethyl]-N-…

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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 3.22 -53.4 3 5 1 76 306.411 6 ↓
Hi High (pH 8-9.5) 1.35 2.04 -12.32 2 5 0 71 305.403 6 ↓
Lo Low (pH 4.5-6) 1.35 3.25 -71.21 3 5 1 79 306.411 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-hydroxyethyl]-N-(2-pyridylmethyl)benzenesulfonamide 4-[(1S)-1-hydroxyethyl]-N-(2-pyr…

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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 0.86 -13.45 2 5 0 79 292.36 5 ↓
Lo Low (pH 4.5-6) 0.80 1 -36.68 2 5 0 83 292.36 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-hydroxyethyl]-N-(2-pyridylmethyl)benzenesulfonamide 4-[(1R)-1-hydroxyethyl]-N-(2-pyr…

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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 0.83 -13.87 2 5 0 79 292.36 5 ↓
Lo Low (pH 4.5-6) 0.80 0.96 -37.21 2 5 0 83 292.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-hydroxyethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1S)-1-hydroxyethyl]-N-(2-pyr…

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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 0.85 -12.74 2 5 0 79 292.36 5 ↓
Lo Low (pH 4.5-6) 0.77 0.98 -37.14 2 5 0 83 292.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-hydroxyethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1R)-1-hydroxyethyl]-N-(2-pyr…

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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 0.82 -13.4 2 5 0 79 292.36 5 ↓
Lo Low (pH 4.5-6) 0.77 0.94 -38.04 2 5 0 83 292.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-aminoethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1R)-1-aminoethyl]-N-(2-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) -0.92 1.47 -60.22 4 5 1 87 292.384 5 ↓
Hi High (pH 8-9.5) -0.92 1.17 -12.58 3 5 0 85 291.376 5 ↓
Lo Low (pH 4.5-6) -0.92 1.86 -99.84 5 5 2 88 293.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-aminoethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-(2-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) -0.92 1.47 -62.87 4 5 1 87 292.384 5 ↓
Hi High (pH 8-9.5) -0.92 1.15 -13.56 3 5 0 85 291.376 5 ↓
Lo Low (pH 4.5-6) -0.92 1.86 -104.48 5 5 2 88 293.392 5 ↓

Analogs

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Popular Name: 3-Amino-4-chloro-N-(2-pyridinylmethyl)-benzenesulfonamide 3-Amino-4-chloro-N-(2-pyridinylm…

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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) 1.32 1.2 -13.24 3 5 0 85 297.767 4 ↓
Lo Low (pH 4.5-6) 1.32 1.58 -42.22 4 5 1 86 298.775 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-N-[(1S)-1-(2-pyridyl)ethyl]benzenesulfonamide 3-fluoro-N-[(1S)-1-(2-pyridyl)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) 1.93 3.65 -11.78 1 4 0 59 280.324 4 ↓
Lo Low (pH 4.5-6) 1.93 3.75 -36.43 1 4 0 62 280.324 4 ↓

Analogs

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Popular Name: 4-isopentyl-N-(2-pyridylmethyl)benzenesulfonamide 4-isopentyl-N-(2-pyridylmethyl)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) 3.31 6.18 -11.61 1 4 0 59 318.442 7 ↓
Lo Low (pH 4.5-6) 3.31 6.22 -35.71 1 4 0 62 318.442 7 ↓

Analogs

4241572
4241572

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Popular Name: N-[2-methoxy-5-(2-pyridylmethylsulfamoyl)phenyl]propanamide N-[2-methoxy-5-(2-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) 1.28 1.81 -20.07 2 7 0 97 349.412 7 ↓
Lo Low (pH 4.5-6) 1.28 2.08 -46.6 3 7 1 99 350.42 7 ↓

Analogs

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Popular Name: 2,5-dimethoxy-N-[(1S)-1-(2-pyridyl)ethyl]benzenesulfonamide 2,5-dimethoxy-N-[(1S)-1-(2-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) 1.84 2.6 -14.16 1 6 0 78 322.386 6 ↓
Lo Low (pH 4.5-6) 1.84 2.75 -44.26 1 6 0 81 322.386 6 ↓

Analogs

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Popular Name: 2,5-dimethoxy-N-[(1R)-1-(2-pyridyl)ethyl]benzenesulfonamide 2,5-dimethoxy-N-[(1R)-1-(2-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) 1.84 2.68 -15.56 1 6 0 78 322.386 6 ↓
Lo Low (pH 4.5-6) 1.84 2.73 -44.31 1 6 0 81 322.386 6 ↓

Analogs

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Popular Name: 2,3-difluoro-N-(2-methoxyethyl)-N-(2-pyridylmethyl)benzenesulfonamide 2,3-difluoro-N-(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) 1.70 4.88 -12.26 0 5 0 60 342.367 7 ↓
Lo Low (pH 4.5-6) 1.70 5.49 -39.53 1 5 1 61 343.375 7 ↓

Analogs

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Popular Name: 2-fluoro-N-(2-methoxyethyl)-4-methyl-N-(2-pyridylmethyl)benzenesulfonamide 2-fluoro-N-(2-methoxyethyl)-4-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) 2.00 5.27 -11.44 0 5 0 60 338.404 7 ↓
Lo Low (pH 4.5-6) 2.00 5.71 -38.34 1 5 1 61 339.412 7 ↓

Analogs

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Popular Name: 4-cyano-N-(2-dimethylaminoethyl)-N-(2-pyridylmethyl)benzenesulfonamide 4-cyano-N-(2-dimethylaminoethyl)…

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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 7.16 -48.68 1 6 1 79 345.448 7 ↓
Hi High (pH 8-9.5) 1.26 4.68 -11.47 0 6 0 77 344.44 7 ↓

Analogs

27823501
27823501
11565833
11565833

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Popular Name: 4-butoxy-3-isopropyl-N-(2-pyridylmethyl)benzenesulfonamide 4-butoxy-3-isopropyl-N-(2-pyridy…

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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) 3.70 6.51 -11.74 1 5 0 68 362.495 9 ↓
Lo Low (pH 4.5-6) 3.70 6.54 -35.47 1 5 0 72 362.495 9 ↓

Analogs

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Popular Name: 4-fluoro-N-(2-methoxyethyl)-3-methyl-N-(2-pyridylmethyl)benzenesulfonamide 4-fluoro-N-(2-methoxyethyl)-3-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) 2.00 5.68 -9.73 0 5 0 60 338.404 7 ↓
Lo Low (pH 4.5-6) 2.00 5.48 -39.92 1 5 1 61 339.412 7 ↓

Analogs

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Popular Name: 4-chloro-N-isopropyl-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide 4-chloro-N-isopropyl-2-nitro-N-(…

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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) 2.72 8.78 -18.42 0 7 0 96 369.83 6 ↓
Lo Low (pH 4.5-6) 2.72 9.08 -48.09 1 7 1 97 370.838 6 ↓

Analogs

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Popular Name: N-isopropyl-2-methoxy-N-(2-pyridylmethyl)benzenesulfonamide N-isopropyl-2-methoxy-N-(2-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) 2.16 6.41 -11.87 0 5 0 60 320.414 6 ↓
Lo Low (pH 4.5-6) 2.16 6.15 -34.33 1 5 1 61 321.422 6 ↓

Analogs

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Popular Name: 3-bromo-N-isopropyl-N-(2-pyridylmethyl)benzenesulfonamide 3-bromo-N-isopropyl-N-(2-pyridyl…

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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) 2.94 7.21 -8.86 0 4 0 50 369.284 5 ↓
Lo Low (pH 4.5-6) 2.94 6.92 -33.89 1 4 1 52 370.292 5 ↓

Analogs

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Popular Name: 4-bromo-N-isopropyl-N-(2-pyridylmethyl)benzenesulfonamide 4-bromo-N-isopropyl-N-(2-pyridyl…

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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) 2.96 7.21 -8.41 0 4 0 50 369.284 5 ↓
Lo Low (pH 4.5-6) 2.96 6.92 -35.25 1 4 1 52 370.292 5 ↓

Analogs

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Popular Name: 2-bromo-N-isopropyl-N-(2-pyridylmethyl)benzenesulfonamide 2-bromo-N-isopropyl-N-(2-pyridyl…

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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) 2.91 6.78 -9.91 0 4 0 50 369.284 5 ↓
Lo Low (pH 4.5-6) 2.91 6.58 -34.39 1 4 1 52 370.292 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(methylamino)-N-(2-pyridylmethyl)benzenesulfonamide 4-(methylamino)-N-(2-pyridylmeth…

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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 1.48 -12.93 2 5 0 71 277.349 5 ↓
Lo Low (pH 4.5-6) 1.09 1.89 -40.13 3 5 1 72 278.357 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4,6-difluoro-N-[(1S)-1-(2-pyridyl)ethyl]benzenesulfonamide 2-bromo-4,6-difluoro-N-[(1S)-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) 2.79 4.55 -8.45 1 4 0 59 377.21 4 ↓
Hi High (pH 8-9.5) 2.79 4.47 -40.88 0 4 -1 61 376.202 4 ↓
Lo Low (pH 4.5-6) 2.79 4.68 -33.64 1 4 0 62 377.21 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4,6-difluoro-N-[(1R)-1-(2-pyridyl)ethyl]benzenesulfonamide 2-bromo-4,6-difluoro-N-[(1R)-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) 2.79 4.5 -9 1 4 0 59 377.21 4 ↓
Hi High (pH 8-9.5) 2.79 4.17 -42.87 0 4 -1 61 376.202 4 ↓
Lo Low (pH 4.5-6) 2.79 4.69 -33.76 1 4 0 62 377.21 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4,6-difluoro-N-(2-pyridylmethyl)benzenesulfonamide 2-bromo-4,6-difluoro-N-(2-pyridy…

Find On: PubMed — Wikipedia — Google

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) 2.23 3.68 -10.48 1 4 0 59 363.183 4 ↓
Hi High (pH 8-9.5) 2.23 3.31 -44.19 0 4 -1 61 362.175 4 ↓
Lo Low (pH 4.5-6) 2.23 3.71 -31.88 1 4 0 62 363.183 4 ↓

Parameters Provided:

ring.id = 5635
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 = 5635 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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