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

35633611
35633611

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Popular Name: 3-[(1S)-1-(ethylamino)ethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 3-[(1S)-1-(ethylamino)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) 3.38 5.1 -52.2 3 5 1 79 326.467 5 ↓
Mid Mid (pH 6-8) 2.45 4.57 -68.93 2 5 0 78 325.459 6 ↓

Analogs

35633610
35633610

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Popular Name: 3-[(1R)-1-(ethylamino)ethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 3-[(1R)-1-(ethylamino)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) 3.38 5.1 -51.48 3 5 1 79 326.467 5 ↓
Mid Mid (pH 6-8) 2.45 4.57 -69.41 2 5 0 78 325.459 6 ↓

Analogs

35633613
35633613

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Popular Name: 3-[(1R)-1-(methylamino)ethyl]-N-(4-methylthiazol-2-yl)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) 3.00 4.25 -53.82 3 5 1 79 312.44 4 ↓
Mid Mid (pH 6-8) 2.07 3.73 -71.11 2 5 0 78 311.432 5 ↓

Analogs

35633612
35633612

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Popular Name: 3-[(1S)-1-(methylamino)ethyl]-N-(4-methylthiazol-2-yl)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) 3.00 4.26 -53.16 3 5 1 79 312.44 4 ↓
Mid Mid (pH 6-8) 2.07 3.72 -71.82 2 5 0 78 311.432 5 ↓

Analogs

35633615
35633615

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Popular Name: 4-[(1S)-1-(ethylamino)ethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 4-[(1S)-1-(ethylamino)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) 3.40 5.11 -53.75 3 5 1 79 326.467 5 ↓
Mid Mid (pH 6-8) 2.47 4.59 -71.94 2 5 0 78 325.459 6 ↓

Analogs

35633614
35633614

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Popular Name: 4-[(1R)-1-(ethylamino)ethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 4-[(1R)-1-(ethylamino)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) 3.40 5.11 -53.16 3 5 1 79 326.467 5 ↓
Mid Mid (pH 6-8) 2.47 4.59 -72.47 2 5 0 78 325.459 6 ↓

Analogs

35633617
35633617

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Popular Name: 4-[(1R)-1-(methylamino)ethyl]-N-(4-methylthiazol-2-yl)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) 3.03 4.27 -54.45 3 5 1 79 312.44 4 ↓
Mid Mid (pH 6-8) 2.10 3.73 -74.21 2 5 0 78 311.432 5 ↓

Analogs

35633616
35633616

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Popular Name: 4-[(1S)-1-(methylamino)ethyl]-N-(4-methylthiazol-2-yl)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) 3.03 4.26 -55.14 3 5 1 79 312.44 4 ↓
Mid Mid (pH 6-8) 2.10 3.73 -73.64 2 5 0 78 311.432 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-hydroxyethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-[(1R)-1-hydroxyethyl]-N-(5-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) 2.47 2.3 -14.1 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.54 1.62 -50.26 1 5 -1 81 297.381 4 ↓

Analogs

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Popular Name: 4-[(1S)-1-hydroxyethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-[(1S)-1-hydroxyethyl]-N-(5-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) 2.47 2.32 -14.02 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.54 1.65 -50.35 1 5 -1 81 297.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-hydroxyethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-[(1R)-1-hydroxyethyl]-N-(5-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) 2.45 2.29 -14.63 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.52 1.7 -50.89 1 5 -1 81 297.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-hydroxyethyl]-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-[(1S)-1-hydroxyethyl]-N-(5-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) 2.45 2.3 -14.62 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.52 1.74 -50.57 1 5 -1 81 297.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-hydroxyethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 4-[(1R)-1-hydroxyethyl]-N-(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) 2.47 1.98 -16.52 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.54 1.35 -47.9 1 5 -1 81 297.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-hydroxyethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 4-[(1S)-1-hydroxyethyl]-N-(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) 2.47 2.01 -16.32 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.54 1.38 -48.14 1 5 -1 81 297.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-hydroxyethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 3-[(1R)-1-hydroxyethyl]-N-(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) 2.45 1.97 -16.92 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.52 1.44 -48.68 1 5 -1 81 297.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-hydroxyethyl]-N-(4-methylthiazol-2-yl)benzenesulfonamide 3-[(1S)-1-hydroxyethyl]-N-(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) 2.45 1.99 -17.14 2 5 0 83 298.389 3 ↓
Mid Mid (pH 6-8) 1.52 1.47 -48.17 1 5 -1 81 297.381 4 ↓

Analogs

21819483
21819483
37053594
37053594

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Popular Name: 3-cyano-N-(4-methylthiazol-2-yl)benzenesulfonamide 3-cyano-N-(4-methylthiazol-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) 2.64 3.88 -18.57 1 5 0 86 279.346 2 ↓

Analogs

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Popular Name: 3-[(5-methylthiazol-2-yl)sulfamoyl]benzenecarbothioamide 3-[(5-methylthiazol-2-yl)sulfamo…

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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) 2.68 3.54 -28.88 3 5 0 88 313.429 3 ↓

Analogs

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Popular Name: 2-hydroxy-4-methyl-5-[(4-methylthiazol-2-yl)sulfamoyl]benzoic 2-hydroxy-4-methyl-5-[(4-methylt…

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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) 3.19 3.1 -64.34 2 7 -1 123 327.363 3 ↓

Analogs

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Popular Name: 2,6-difluoro-3-[(5-methylthiazol-2-yl)sulfamoyl]benzoic 2,6-difluoro-3-[(5-methylthiazol…

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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) 2.66 3.96 -71.23 1 6 -1 102 333.317 3 ↓

Analogs

21819837
21819837

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Popular Name: 3-acetyl-N-(5-methylthiazol-2-yl)benzenesulfonamide 3-acetyl-N-(5-methylthiazol-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) 2.78 4.8 -20.32 1 5 0 79 296.373 3 ↓

Analogs

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Popular Name: 3,5-difluoro-N-(4-methylthiazol-2-yl)benzenesulfonamide 3,5-difluoro-N-(4-methylthiazol-…

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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) 3.16 3.86 -12.06 1 4 0 62 290.316 2 ↓
Mid Mid (pH 6-8) 2.23 3.33 -39.19 0 4 -1 61 289.308 3 ↓

Analogs

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Popular Name: 2,3-difluoro-N-(4-methylthiazol-2-yl)benzenesulfonamide 2,3-difluoro-N-(4-methylthiazol-…

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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) 3.14 3.85 -17.77 1 4 0 62 290.316 2 ↓
Mid Mid (pH 6-8) 2.21 3.33 -49.21 0 4 -1 61 289.308 3 ↓

Analogs

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Popular Name: 4-[(1S)-1-methylpropyl]-N-thiazol-2-yl-benzenesulfonamide 4-[(1S)-1-methylpropyl]-N-thiazo…

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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) 4.54 5.8 -13.24 1 4 0 62 296.417 4 ↓
Mid Mid (pH 6-8) 3.61 5.24 -46.61 0 4 -1 61 295.409 5 ↓

Analogs

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Popular Name: 2,5-difluoro-N-(4-methylthiazol-2-yl)benzenesulfonamide 2,5-difluoro-N-(4-methylthiazol-…

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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) 3.16 3.85 -15.83 1 4 0 62 290.316 2 ↓
Mid Mid (pH 6-8) 2.23 3.33 -46.44 0 4 -1 61 289.308 3 ↓

Analogs

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Popular Name: 2,5-difluoro-N-(5-methylthiazol-2-yl)benzenesulfonamide 2,5-difluoro-N-(5-methylthiazol-…

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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) 3.16 4.16 -13.49 1 4 0 62 290.316 2 ↓
Mid Mid (pH 6-8) 2.23 3.6 -48.57 0 4 -1 61 289.308 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) 3.45 5.13 -15.26 1 6 0 89 326.399 4 ↓
Mid Mid (pH 6-8) 2.53 4.62 -42.66 0 6 -1 87 325.391 5 ↓

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) 3.45 5.44 -13.09 1 6 0 89 326.399 4 ↓
Mid Mid (pH 6-8) 2.53 4.89 -44.66 0 6 -1 87 325.391 5 ↓

Analogs

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Popular Name: N3-methyl-N1-(5-methylthiazol-2-yl)benzene-1,3-disulfonamide N3-methyl-N1-(5-methylthiazol-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) 1.95 0.21 -18.63 2 7 0 108 347.443 4 ↓
Mid Mid (pH 6-8) 1.02 -0.36 -52.11 1 7 -1 107 346.435 5 ↓

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) 2.83 5.49 -16.47 1 6 0 89 330.362 4 ↓
Mid Mid (pH 6-8) 1.90 4.95 -54.95 0 6 -1 87 329.354 5 ↓

Analogs

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Popular Name: 4-(2-methoxyethoxy)-N-(4-methylthiazol-2-yl)benzenesulfonamide 4-(2-methoxyethoxy)-N-(4-methylt…

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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) 2.85 3.22 -16.89 1 6 0 81 328.415 6 ↓
Mid Mid (pH 6-8) 1.93 2.7 -47.2 0 6 -1 80 327.407 7 ↓

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) 3.09 5.31 -14.98 1 6 0 89 326.399 4 ↓
Mid Mid (pH 6-8) 2.16 4.75 -49.9 0 6 -1 87 325.391 5 ↓

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) 3.65 5.11 -14.73 1 6 0 89 326.399 5 ↓
Mid Mid (pH 6-8) 2.72 4.64 -42.99 0 6 -1 87 325.391 6 ↓

Analogs

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Popular Name: N-(4-methylthiazol-2-yl)-2-(trifluoromethoxy)benzenesulfonamide N-(4-methylthiazol-2-yl)-2-(trif…

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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) 3.83 3.98 -16.82 1 5 0 72 338.332 4 ↓
Mid Mid (pH 6-8) 2.90 3.46 -48.91 0 5 -1 70 337.324 5 ↓

Analogs

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Popular Name: 4-fluoro-2-methyl-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-fluoro-2-methyl-N-(5-methylthi…

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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) 3.45 4.87 -10.92 1 4 0 62 286.353 2 ↓
Mid Mid (pH 6-8) 2.52 4.31 -42.94 0 4 -1 61 285.345 3 ↓

Analogs

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Popular Name: 4-(2-methoxyethoxy)-N-(5-methylthiazol-2-yl)benzenesulfonamide 4-(2-methoxyethoxy)-N-(5-methylt…

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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) 2.85 3.53 -14.71 1 6 0 81 328.415 6 ↓
Mid Mid (pH 6-8) 1.93 2.97 -49.25 0 6 -1 80 327.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-(4-methylthiazol-2-yl)-3-nitro-benzenesulfonamide 2-methyl-N-(4-methylthiazol-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) 3.22 5.16 -15.63 1 7 0 108 313.36 3 ↓
Mid Mid (pH 6-8) 2.29 4.63 -42.99 0 7 -1 107 312.352 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) 3.08 4.37 -15.44 1 6 0 89 312.372 4 ↓
Mid Mid (pH 6-8) 2.15 3.85 -43 0 6 -1 87 311.364 5 ↓

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) 3.05 4.67 -16.66 1 6 0 89 312.372 4 ↓
Mid Mid (pH 6-8) 2.13 4.11 -51.97 0 6 -1 87 311.364 5 ↓

Analogs

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Popular Name: 4-acetyl-N-(4-ethylthiazol-2-yl)benzenesulfonamide 4-acetyl-N-(4-ethylthiazol-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) 3.38 4.87 -17.09 1 5 0 79 310.4 4 ↓
Mid Mid (pH 6-8) 2.45 4.39 -46.32 0 5 -1 78 309.392 5 ↓

Analogs

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Popular Name: N-(4-ethylthiazol-2-yl)-2-methyl-6-nitro-benzenesulfonamide N-(4-ethylthiazol-2-yl)-2-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) 3.79 6.76 -20.94 1 7 0 108 327.387 4 ↓
Mid Mid (pH 6-8) 2.86 6.31 -57.69 0 7 -1 107 326.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 3.63 5.1 -18.35 1 6 0 89 326.399 5 ↓
Mid Mid (pH 6-8) 2.70 4.63 -49.88 0 6 -1 87 325.391 6 ↓

Analogs

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Popular Name: 2-methoxy-N-(4-methylthiazol-2-yl)-5-nitro-benzenesulfonamide 2-methoxy-N-(4-methylthiazol-2-y…

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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) 2.85 4.21 -20.07 1 8 0 117 329.359 4 ↓
Mid Mid (pH 6-8) 1.92 3.69 -49.5 0 8 -1 116 328.351 5 ↓

Analogs

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Popular Name: 2,4-dibromo-N-(4,5-dimethylthiazol-2-yl)benzenesulfonamide 2,4-dibromo-N-(4,5-dimethylthiaz…

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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) 4.68 5.89 -10.52 1 4 0 62 426.155 2 ↓
Mid Mid (pH 6-8) 3.75 5.32 -43.98 0 4 -1 61 425.147 3 ↓

Analogs

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Popular Name: 5-bromo-N-(4,5-dimethylthiazol-2-yl)-2-nitro-benzenesulfonamide 5-bromo-N-(4,5-dimethylthiazol-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) 3.82 6.65 -15.39 1 7 0 108 392.256 3 ↓
Mid Mid (pH 6-8) 2.90 6.08 -53.2 0 7 -1 107 391.248 4 ↓

Analogs

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Popular Name: 2-bromo-N-(4,5-dimethylthiazol-2-yl)-4-fluoro-benzenesulfonamide 2-bromo-N-(4,5-dimethylthiazol-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) 4.03 5.34 -10.6 1 4 0 62 365.249 2 ↓
Mid Mid (pH 6-8) 3.10 4.77 -43.55 0 4 -1 61 364.241 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.95 5.47 -17.7 1 6 0 89 326.399 5 ↓
Mid Mid (pH 6-8) 2.02 4.9 -54.41 0 6 -1 87 325.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 2.95 5.16 -19.69 1 6 0 89 326.399 5 ↓
Mid Mid (pH 6-8) 2.02 4.63 -52.45 0 6 -1 87 325.391 6 ↓

Analogs

372363
372363

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Popular Name: 4-hydrazino-N-(4-methylthiazol-2-yl)-2-nitro-benzenesulfonamide 4-hydrazino-N-(4-methylthiazol-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) 2.04 2.83 -21.23 4 9 0 146 329.363 4 ↓
Mid Mid (pH 6-8) 1.11 2.32 -56.32 3 9 -1 145 328.355 5 ↓

Analogs

4951248
4951248

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Popular Name: 4-hydrazino-N-(4-methylthiazol-2-yl)-3-nitro-benzenesulfonamide 4-hydrazino-N-(4-methylthiazol-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) 2.04 2.23 -16.59 4 9 0 146 329.363 4 ↓
Mid Mid (pH 6-8) 1.11 1.72 -45.15 3 9 -1 145 328.355 5 ↓

Parameters Provided:

ring.id = 20007
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 = 20007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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