UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10504934
10504934

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -4.05 -48.65 2 5 1 59 355.505 8 ↓

Analogs

10504933
10504933

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -3.51 -44.76 2 5 1 59 355.505 8 ↓

Analogs

10504948
10504948

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -3.82 -47.86 2 5 1 59 369.532 8 ↓

Analogs

10504947
10504947

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -3.45 -44.57 2 5 1 59 369.532 8 ↓

Analogs

10504986
10504986

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -3.35 -44.4 2 5 1 59 383.559 9 ↓

Analogs

10504984
10504984

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Popular Name: N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-ethoxyph…

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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 -3.6 -49.38 2 5 1 59 383.559 9 ↓

Analogs

10505010
10505010

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Popular Name: 5-chloro-N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]-thiophene-2-sulfonamide 5-chloro-N-[2-dimethylamino-2-(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) 3.80 -4.12 -49.42 2 5 1 59 389.95 8 ↓

Analogs

10505008
10505008

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Popular Name: 5-chloro-N-[2-dimethylamino-2-(4-ethoxyphenyl)-ethyl]-thiophene-2-sulfonamide 5-chloro-N-[2-dimethylamino-2-(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) 3.80 -3.85 -45.21 2 5 1 59 389.95 8 ↓

Analogs

10505146
10505146

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]thiophene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 2.21 -3.75 -48.57 2 6 1 69 371.504 8 ↓

Analogs

10505143
10505143

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]thiophene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 2.21 -3.68 -52.12 2 6 1 69 371.504 8 ↓

Analogs

10505202
10505202

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 2.43 -3.66 -48.21 2 6 1 69 385.531 8 ↓

Analogs

10505199
10505199

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 2.43 -3.59 -50.54 2 6 1 69 385.531 8 ↓

Analogs

10505328
10505328

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 3.01 -3.25 -50.9 2 6 1 69 399.558 9 ↓

Analogs

10505324
10505324

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Popular Name: N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-(3,4-dimethoxyphenyl)-2-dim…

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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) 3.01 -3.49 -50.43 2 6 1 69 399.558 9 ↓

Analogs

10505394
10505394

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Popular Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]-thiophene-2-sulfonamide 5-chloro-N-[2-(3,4-dimethoxyphen…

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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) 3.01 -3.77 -50.92 2 6 1 69 405.949 8 ↓

Analogs

10505389
10505389

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Popular Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)-2-dimethylamino-ethyl]-thiophene-2-sulfonamide 5-chloro-N-[2-(3,4-dimethoxyphen…

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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) 3.01 -4.02 -51.44 2 6 1 69 405.949 8 ↓

Analogs

10505610
10505610

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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 -2.81 -46.89 2 4 1 50 329.442 6 ↓

Analogs

10505605
10505605

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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 -3.2 -50.05 2 4 1 50 329.442 6 ↓

Analogs

10505663
10505663

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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 -2.72 -46.54 2 4 1 50 343.469 6 ↓

Analogs

10505658
10505658

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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 -3.12 -49.65 2 4 1 50 343.469 6 ↓

Analogs

10505791
10505791

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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) 3.52 -2.64 -46.54 2 4 1 50 357.496 7 ↓

Analogs

10505785
10505785

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Popular Name: N-[2-dimethylamino-2-(4-fluorophenyl)-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-fluoroph…

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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) 3.52 -3.09 -49.69 2 4 1 50 357.496 7 ↓

Analogs

10506360
10506360

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 2.62 -3.53 -44.83 2 5 1 59 341.478 7 ↓

Analogs

10506354
10506354

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 2.62 -3.92 -48.24 2 5 1 59 341.478 7 ↓

Analogs

10506433
10506433

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 2.84 -3.46 -44.58 2 5 1 59 355.505 7 ↓

Analogs

10506426
10506426

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]-5-methyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 2.84 -3.84 -47.88 2 5 1 59 355.505 7 ↓

Analogs

10506576
10506576

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 3.42 -3.36 -44.41 2 5 1 59 369.532 8 ↓

Analogs

10506570
10506570

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Popular Name: N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-dimethylamino-2-(4-methoxyp…

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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) 3.42 -3.61 -49.47 2 5 1 59 369.532 8 ↓

Analogs

10506631
10506631

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Popular Name: 5-chloro-N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]-thiophene-2-sulfonamide 5-chloro-N-[2-dimethylamino-2-(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) 3.42 -3.87 -45.29 2 5 1 59 375.923 7 ↓

Analogs

10506626
10506626

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Popular Name: 5-chloro-N-[2-dimethylamino-2-(4-methoxyphenyl)-ethyl]-thiophene-2-sulfonamide 5-chloro-N-[2-dimethylamino-2-(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) 3.42 -4.14 -49.46 2 5 1 59 375.923 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5-chloro-thiophene-2-sulfonamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.65 -0.4 -9.99 4 5 0 92 332.834 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5-chloro-thiophene-2-sulfonamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.65 -0.36 -9.92 4 5 0 92 332.834 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5-bromo-thiophene-2-sulfonamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.78 -0.3 -9.95 4 5 0 92 377.285 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5-bromo-thiophene-2-sulfonamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.78 -0.26 -9.88 4 5 0 92 377.285 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5-methyl-thiophene-2-sulfonamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 1.06 -0.15 -11.61 4 5 0 92 312.416 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]-5-methyl-thiophene-2-sulfonamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 1.06 -0.19 -11.77 4 5 0 92 312.416 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-aminophenyl)-2-hydroxy-ethyl]thiophene-2-sulfonamide N-[(2R)-2-(4-aminophenyl)-2-hydr…

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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) 0.84 -0.99 -11.73 4 5 0 92 298.389 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-aminophenyl)-2-hydroxy-ethyl]thiophene-2-sulfonamide N-[(2S)-2-(4-aminophenyl)-2-hydr…

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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) 0.84 -1.03 -11.89 4 5 0 92 298.389 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1S)-2-(4-flu…

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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) 2.67 3.31 -56.38 4 4 1 74 329.442 6 ↓
Hi High (pH 8-9.5) 2.67 2.92 -11.29 3 4 0 72 328.434 6 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]thiophene-2-sulfonamide 5-(aminomethyl)-N-[(1R)-2-(4-flu…

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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) 2.67 3.24 -61.03 4 4 1 74 329.442 6 ↓
Hi High (pH 8-9.5) 2.67 2.84 -13.53 3 4 0 72 328.434 6 ↓

Analogs

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Popular Name: 5-ethyl-N-[2-(2-methoxyphenyl)ethyl]-N-methyl-thiophene-2-sulfonamide 5-ethyl-N-[2-(2-methoxyphenyl)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) 3.81 7.09 -10.8 0 4 0 47 339.482 7 ↓

Analogs

33786196
33786196
33786197
33786197

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Popular Name: N-[2-(m-tolyl)ethyl]thiophene-2-sulfonamide N-[2-(m-tolyl)ethyl]thiophene-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) 3.18 4.93 -10.26 1 3 0 46 281.402 5 ↓

Analogs

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Popular Name: N-[2-(4-nitrophenyl)ethyl]thiophene-2-sulfonamide N-[2-(4-nitrophenyl)ethyl]thioph…

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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 4.98 -15.62 1 6 0 92 312.372 6 ↓

Analogs

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Popular Name: 5-bromo-N-[2-(4-nitrophenyl)ethyl]thiophene-2-sulfonamide 5-bromo-N-[2-(4-nitrophenyl)ethy…

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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 5.7 -14.51 1 6 0 92 391.268 6 ↓

Analogs

32215315
32215315

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Popular Name: N-[2-(4-dimethylaminophenyl)ethyl]-5-ethyl-thiophene-2-sulfonamide N-[2-(4-dimethylaminophenyl)ethy…

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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 6.45 -12.21 1 4 0 49 338.498 7 ↓

Analogs

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Popular Name: 5-chloro-N-[2-(4-dimethylaminophenyl)ethyl]thiophene-2-sulfonamide 5-chloro-N-[2-(4-dimethylaminoph…

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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) 3.66 5.35 -10.65 1 4 0 49 344.889 6 ↓

Analogs

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Popular Name: N-[2-(2-bromophenyl)ethyl]thiophene-2-sulfonamide N-[2-(2-bromophenyl)ethyl]thioph…

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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) 3.52 4.74 -11.31 1 3 0 46 346.271 5 ↓

Analogs

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Popular Name: N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]-2-thienyl]methyl]acetamide N-[[5-[2-(4-methoxyphenyl)ethyls…

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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) 1.97 2.77 -15.69 2 6 0 85 368.48 8 ↓

Analogs

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Popular Name: N-ethyl-N-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]thiophene-2-sulfonamide N-ethyl-N-[(1S)-2-(4-methoxyphen…

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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) 3.77 6.76 -13.77 0 4 0 47 339.482 7 ↓

Analogs

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Popular Name: N-ethyl-N-[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]thiophene-2-sulfonamide N-ethyl-N-[(1R)-2-(4-methoxyphen…

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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) 3.77 6.32 -11.41 0 4 0 47 339.482 7 ↓

Parameters Provided:

ring.id = 8982
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 = 8982 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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