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Analogs

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Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 2.32 3.26 -15.06 3 5 0 88 295.389 3 ↓
Mid Mid (pH 6-8) 1.40 2.57 -48.89 2 5 -1 87 294.381 4 ↓

Analogs

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Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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) 2.71 3.61 -14.68 3 5 0 88 295.389 3 ↓
Mid Mid (pH 6-8) 1.78 2.92 -46.74 2 5 -1 87 294.381 4 ↓

Analogs

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Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)-4-fluoro-benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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 3.68 -12.12 3 5 0 88 313.379 3 ↓
Mid Mid (pH 6-8) 1.92 2.99 -40.91 2 5 -1 87 312.371 4 ↓

Analogs

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Popular Name: 5-amino-N-(4-cyclopropylthiazol-2-yl)-2-methyl-benzenesulfonamide 5-amino-N-(4-cyclopropylthiazol-…

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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) 2.73 4.03 -15.15 3 5 0 88 309.416 3 ↓
Mid Mid (pH 6-8) 1.80 3.33 -48.61 2 5 -1 87 308.408 4 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 5-amino-2-chloro-N-(4-cyclopropy…

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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 3.82 -15.57 3 5 0 88 329.834 3 ↓
Mid Mid (pH 6-8) 2.03 3.12 -49.31 2 5 -1 87 328.826 4 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-amino-2-chloro-N-(4-cyclopropy…

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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 3.82 -15.82 3 5 0 88 329.834 3 ↓
Mid Mid (pH 6-8) 2.03 3.12 -49.73 2 5 -1 87 328.826 4 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 3-amino-4-chloro-N-(4-cyclopropy…

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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) 3.36 3.83 -12.55 3 5 0 88 329.834 3 ↓
Mid Mid (pH 6-8) 2.43 3.13 -43.56 2 5 -1 87 328.826 4 ↓

Analogs

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Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-4-fluoro-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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 3.35 -12.63 3 5 0 88 313.379 3 ↓
Mid Mid (pH 6-8) 1.92 2.66 -43.01 2 5 -1 87 312.371 4 ↓

Analogs

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Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-4-methoxy-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 2.74 2.68 -14.67 3 6 0 98 325.415 4 ↓
Mid Mid (pH 6-8) 1.81 1.98 -47.37 2 6 -1 96 324.407 5 ↓

Analogs

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Popular Name: 3-amino-5-chloro-N-(4-cyclopropylthiazol-2-yl)-4-methyl-benzenesulfonamide 3-amino-5-chloro-N-(4-cyclopropy…

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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) 3.74 4.47 -13.93 3 5 0 88 343.861 3 ↓
Mid Mid (pH 6-8) 2.81 3.77 -46.46 2 5 -1 87 342.853 4 ↓

Analogs

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Popular Name: 5-amino-N-(4-cyclopropylthiazol-2-yl)-2-methoxy-benzenesulfonamide 5-amino-N-(4-cyclopropylthiazol-…

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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) 2.33 3.02 -18.49 3 6 0 98 325.415 4 ↓
Mid Mid (pH 6-8) 1.41 2.32 -54.52 2 6 -1 96 324.407 5 ↓

Analogs

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

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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 3.41 -13.5 3 5 0 88 331.369 3 ↓
Mid Mid (pH 6-8) 2.01 2.71 -45.35 2 5 -1 87 330.361 4 ↓

Analogs

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Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-4,5-dimethyl-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 3.51 4.58 -15.57 3 5 0 88 323.443 3 ↓
Mid Mid (pH 6-8) 2.58 3.88 -50.45 2 5 -1 87 322.435 4 ↓

Analogs

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Popular Name: 5-amino-N-(4-cyclopropylthiazol-2-yl)-2,3-dimethyl-benzenesulfonamide 5-amino-N-(4-cyclopropylthiazol-…

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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) 3.10 4.6 -15.45 3 5 0 88 323.443 3 ↓
Mid Mid (pH 6-8) 2.17 3.91 -49.49 2 5 -1 87 322.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)-4-methoxy-benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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) 2.74 2.91 -14.22 3 6 0 98 325.415 4 ↓
Mid Mid (pH 6-8) 1.81 2.22 -45.06 2 6 -1 96 324.407 5 ↓

Analogs

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Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)-4,5-dimethyl-benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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) 3.51 4.82 -14.92 3 5 0 88 323.443 3 ↓
Mid Mid (pH 6-8) 2.58 4.13 -47.81 2 5 -1 87 322.435 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-2-methyl-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 3.11 4.13 -15.18 3 5 0 88 309.416 3 ↓
Mid Mid (pH 6-8) 2.18 3.43 -48.5 2 5 -1 87 308.408 4 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-4-chloro-N-(4-cyclopropy…

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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) 3.36 4.13 -12.2 3 5 0 88 329.834 3 ↓
Mid Mid (pH 6-8) 2.43 3.44 -41.41 2 5 -1 87 328.826 4 ↓

Analogs

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Popular Name: 5-amino-N-(4-cyclopropylthiazol-2-yl)-2-fluoro-benzenesulfonamide 5-amino-N-(4-cyclopropylthiazol-…

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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) 2.44 3.32 -17.02 3 5 0 88 313.379 3 ↓
Mid Mid (pH 6-8) 1.51 2.62 -52.3 2 5 -1 87 312.371 4 ↓

Analogs

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Popular Name: 5-amino-N-(4-cyclopropylthiazol-2-yl)-2-ethyl-benzenesulfonamide 5-amino-N-(4-cyclopropylthiazol-…

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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 4.99 -14.74 3 5 0 88 323.443 4 ↓
Mid Mid (pH 6-8) 2.26 4.29 -47.09 2 5 -1 87 322.435 5 ↓

Analogs

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Popular Name: 2-amino-4,6-dichloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-4,6-dichloro-N-(4-cyclop…

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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) 3.97 4.9 -11.78 3 5 0 88 364.279 3 ↓
Mid Mid (pH 6-8) 3.04 4.19 -41.3 2 5 -1 87 363.271 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-5-methyl-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 2.73 3.91 -15.12 3 5 0 88 309.416 3 ↓
Mid Mid (pH 6-8) 1.80 3.21 -49.31 2 5 -1 87 308.408 4 ↓

Analogs

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Popular Name: 4-amino-2-bromo-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-amino-2-bromo-N-(4-cyclopropyl…

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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 3.95 -15.55 3 5 0 88 374.285 3 ↓
Mid Mid (pH 6-8) 2.16 3.26 -49.02 2 5 -1 87 373.277 4 ↓

Analogs

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Popular Name: 4-amino-2-cyano-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-amino-2-cyano-N-(4-cyclopropyl…

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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 3.55 -18.92 3 6 0 112 320.399 3 ↓
Mid Mid (pH 6-8) 1.10 2.83 -54.73 2 6 -1 111 319.391 4 ↓

Analogs

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Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)-4-methyl-benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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) 3.13 4.28 -14.48 3 5 0 88 309.416 3 ↓
Mid Mid (pH 6-8) 2.20 3.59 -46.82 2 5 -1 87 308.408 4 ↓

Analogs

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Popular Name: 4-amino-N-(4-cyclopropylthiazol-2-yl)-2-methyl-benzenesulfonamide 4-amino-N-(4-cyclopropylthiazol-…

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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) 2.73 4.02 -15.34 3 5 0 88 309.416 3 ↓
Mid Mid (pH 6-8) 1.80 3.32 -48.93 2 5 -1 87 308.408 4 ↓

Analogs

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Popular Name: 6-amino-N-(4-cyclopropylthiazol-2-yl)-2,3-dimethyl-benzenesulfonamide 6-amino-N-(4-cyclopropylthiazol-…

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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) 3.51 5.15 -13.67 3 5 0 88 323.443 3 ↓
Mid Mid (pH 6-8) 2.58 4.46 -46.67 2 5 -1 87 322.435 4 ↓

Analogs

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Popular Name: 4-amino-2,6-dichloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-amino-2,6-dichloro-N-(4-cyclop…

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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) 3.56 4.57 -15.89 3 5 0 88 364.279 3 ↓
Mid Mid (pH 6-8) 2.63 3.87 -49.47 2 5 -1 87 363.271 4 ↓

Analogs

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Popular Name: 5-amino-3-chloro-N-(4-cyclopropylthiazol-2-yl)-2-fluoro-benzenesulfonamide 5-amino-3-chloro-N-(4-cyclopropy…

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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 3.82 -15.74 3 5 0 88 347.824 3 ↓
Mid Mid (pH 6-8) 2.12 3.12 -49.27 2 5 -1 87 346.816 4 ↓

Analogs

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Popular Name: 4-amino-N-(4-cyclopropylthiazol-2-yl)-2-methoxy-benzenesulfonamide 4-amino-N-(4-cyclopropylthiazol-…

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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) 2.33 3.03 -18.75 3 6 0 98 325.415 4 ↓
Mid Mid (pH 6-8) 1.41 2.34 -55.08 2 6 -1 96 324.407 5 ↓

Analogs

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Popular Name: 2-amino-4-bromo-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-4-bromo-N-(4-cyclopropyl…

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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) 3.49 4.24 -12.1 3 5 0 88 374.285 3 ↓
Mid Mid (pH 6-8) 2.57 3.55 -41.44 2 5 -1 87 373.277 4 ↓

Analogs

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Popular Name: 4-amino-2,6-dibromo-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-amino-2,6-dibromo-N-(4-cyclopr…

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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 4.85 -15.23 3 5 0 88 453.181 3 ↓
Mid Mid (pH 6-8) 2.90 4.15 -48.14 2 5 -1 87 452.173 4 ↓

Analogs

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Popular Name: 2-amino-4,6-dibromo-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-4,6-dibromo-N-(4-cyclopr…

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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) 4.23 5.19 -11.25 3 5 0 88 453.181 3 ↓
Mid Mid (pH 6-8) 3.30 4.46 -40.69 2 5 -1 87 452.173 4 ↓

Analogs

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Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-2,6-dimethyl-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 3.51 5.05 -14.44 3 5 0 88 323.443 3 ↓
Mid Mid (pH 6-8) 2.58 4.34 -48.53 2 5 -1 87 322.435 4 ↓

Analogs

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Popular Name: 3-amino-N-(4-cyclopropylthiazol-2-yl)-4-ethyl-benzenesulfonamide 3-amino-N-(4-cyclopropylthiazol-…

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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) 3.60 4.78 -14.75 3 5 0 88 323.443 4 ↓
Mid Mid (pH 6-8) 2.67 4.08 -49.03 2 5 -1 87 322.435 5 ↓

Analogs

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Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)-6-methyl-benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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) 3.11 4.6 -13.6 3 5 0 88 309.416 3 ↓
Mid Mid (pH 6-8) 2.18 3.89 -46.28 2 5 -1 87 308.408 4 ↓

Analogs

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Popular Name: 4-amino-N-(4-cyclopropylthiazol-2-yl)-2,6-difluoro-benzenesulfonamide 4-amino-N-(4-cyclopropylthiazol-…

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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) 2.53 3.54 -18.85 3 5 0 88 331.369 3 ↓
Mid Mid (pH 6-8) 1.60 2.82 -54.8 2 5 -1 87 330.361 4 ↓

Analogs

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Popular Name: 2-amino-N-(4-cyclopropylthiazol-2-yl)-5-fluoro-benzenesulfonamide 2-amino-N-(4-cyclopropylthiazol-…

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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 3.68 -14.53 3 5 0 88 313.379 3 ↓
Mid Mid (pH 6-8) 1.92 2.99 -44.37 2 5 -1 87 312.371 4 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-5-chloro-N-(4-cyclopropy…

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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) 3.36 4.13 -13.86 3 5 0 88 329.834 3 ↓
Mid Mid (pH 6-8) 2.43 3.44 -43.93 2 5 -1 87 328.826 4 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 2-amino-5-bromo-N-(4-cyclopropyl…

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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) 3.49 4.24 -13.77 3 5 0 88 374.285 3 ↓
Mid Mid (pH 6-8) 2.57 3.55 -43.75 2 5 -1 87 373.277 4 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-(4-cyclopropylthiazol-2-yl)-4-fluoro-benzenesulfonamide 5-amino-2-chloro-N-(4-cyclopropy…

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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 3.91 -12.46 3 5 0 88 347.824 3 ↓
Mid Mid (pH 6-8) 2.53 3.21 -42.9 2 5 -1 87 346.816 4 ↓

Analogs

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Popular Name: 3-[(4-cyclopropylthiazol-2-yl)sulfamoyl]benzenecarbothioamide 3-[(4-cyclopropylthiazol-2-yl)su…

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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 4.61 -25.19 3 5 0 88 339.467 4 ↓
Mid Mid (pH 6-8) 2.12 3.91 -60.18 2 5 -1 87 338.459 5 ↓

Analogs

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Popular Name: 4-[(4-cyclopropylthiazol-2-yl)sulfamoyl]benzenecarbothioamide 4-[(4-cyclopropylthiazol-2-yl)su…

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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) 3.07 4.61 -20.68 3 5 0 88 339.467 4 ↓
Mid Mid (pH 6-8) 2.14 3.92 -49.21 2 5 -1 87 338.459 5 ↓

Analogs

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Popular Name: 2-[(4-cyclopropylthiazol-2-yl)sulfamoyl]benzenecarbothioamide 2-[(4-cyclopropylthiazol-2-yl)su…

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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) 3.02 4.77 -18.03 3 5 0 88 339.467 4 ↓
Mid Mid (pH 6-8) 2.10 4.07 -54.18 2 5 -1 87 338.459 5 ↓

Analogs

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Popular Name: 3-[(1S)-1-aminoethyl]-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-(4-cyclo…

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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) 1.11 4.14 -58.34 4 5 1 90 324.451 4 ↓
Mid Mid (pH 6-8) 0.19 3.43 -77.55 3 5 0 89 323.443 5 ↓

Analogs

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Popular Name: 3-[(1R)-1-aminoethyl]-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 3-[(1R)-1-aminoethyl]-N-(4-cyclo…

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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) 1.11 4.14 -57.6 4 5 1 90 324.451 4 ↓
Mid Mid (pH 6-8) 0.19 3.43 -78.31 3 5 0 89 323.443 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-aminoethyl]-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-[(1S)-1-aminoethyl]-N-(4-cyclo…

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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) 1.14 4.14 -59.67 4 5 1 90 324.451 4 ↓
Mid Mid (pH 6-8) 0.21 3.45 -80.27 3 5 0 89 323.443 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-aminoethyl]-N-(4-cyclopropylthiazol-2-yl)benzenesulfonamide 4-[(1R)-1-aminoethyl]-N-(4-cyclo…

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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) 1.14 4.15 -59.05 4 5 1 90 324.451 4 ↓
Mid Mid (pH 6-8) 0.21 3.45 -80.95 3 5 0 89 323.443 5 ↓

Analogs

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Popular Name: N-(4-cyclopropylthiazol-2-yl)-4-hydrazino-benzenesulfonamide N-(4-cyclopropylthiazol-2-yl)-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) 2.52 3.06 -15.53 4 6 0 100 310.404 4 ↓
Mid Mid (pH 6-8) 1.59 2.37 -49.61 3 6 -1 99 309.396 5 ↓
Lo Low (pH 4.5-6) 2.52 2.87 -62.25 5 6 1 102 311.412 4 ↓

Analogs

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Popular Name: N-(4-cyclopropylthiazol-2-yl)-2-hydrazino-benzenesulfonamide N-(4-cyclopropylthiazol-2-yl)-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) 2.47 3.35 -15.33 4 6 0 100 310.404 4 ↓
Mid Mid (pH 6-8) 1.54 2.66 -46.74 3 6 -1 99 309.396 5 ↓
Lo Low (pH 4.5-6) 2.47 3.16 -53.56 5 6 1 102 311.412 4 ↓

Parameters Provided:

ring.id = 544255
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 544255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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