UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4167325
4167325

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Popular Name: N-(o-tolyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(o-tolyl)-2-[(3-phenyl-1,2,4-t…

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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) 4.37 -2.12 -12.92 1 4 0 54 341.461 5 ↓

Analogs

4167226
4167226
4167326
4167326

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Popular Name: N-(m-tolyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(m-tolyl)-2-[(3-phenyl-1,2,4-t…

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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) 4.40 -2.33 -12.89 1 4 0 54 341.461 5 ↓

Analogs

4167328
4167328

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Popular Name: N-(2,3-dimethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2,3-dimethylphenyl)-2-[(3-phe…

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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) 4.78 -1.89 -13.04 1 4 0 54 355.488 5 ↓

Analogs

4167330
4167330

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Popular Name: N-(2,5-dimethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2,5-dimethylphenyl)-2-[(3-phe…

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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) 4.80 -1.8 -12.98 1 4 0 54 355.488 5 ↓

Analogs

4167228
4167228
4167331
4167331
4167334
4167334

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Popular Name: N-(2,4-dimethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[(3-phe…

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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) 4.80 -1.77 -12.99 1 4 0 54 355.488 5 ↓

Analogs

4167333
4167333
4167220
4167220

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Popular Name: N-(3,5-dimethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(3,5-dimethylphenyl)-2-[(3-phe…

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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) 4.80 -2.02 -13.05 1 4 0 54 355.488 5 ↓

Analogs

4167331
4167331
4167334
4167334
4167225
4167225

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Popular Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide 2-[(3-phenyl-1,2,4-thiadiazol-5-…

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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) 4.24 -1.46 -12.58 1 4 0 54 369.515 5 ↓

Analogs

4167335
4167335

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Popular Name: N-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(4-ethylphenyl)-2-[(3-phenyl-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) 4.89 -2.19 -12.86 1 4 0 54 355.488 6 ↓

Analogs

4167337
4167337

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Popular Name: N-(4-butylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(4-butylphenyl)-2-[(3-phenyl-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) 5.84 -1.94 -12.69 1 4 0 54 383.542 8 ↓

Analogs

4167339
4167339

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Popular Name: N-(2-fluorophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2-fluorophenyl)-2-[(3-phenyl-…

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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) 4.09 -1.88 -11.59 1 4 0 54 345.424 5 ↓

Analogs

4167342
4167342

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Popular Name: N-(3-fluorophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(3-fluorophenyl)-2-[(3-phenyl-…

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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) 4.11 -1.93 -15.65 1 4 0 54 345.424 5 ↓

Analogs

2917456
2917456

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Popular Name: N-(3-chlorophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(3-chlorophenyl)-2-[(3-phenyl-…

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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) 4.63 -2.82 -14.6 1 4 0 54 361.879 5 ↓

Analogs

2917458
2917458

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Popular Name: N-(4-chlorophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(4-chlorophenyl)-2-[(3-phenyl-…

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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) 4.65 -2.8 -13.24 1 4 0 54 361.879 5 ↓

Analogs

9404015
9404015

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Popular Name: N-(4-bromophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(4-bromophenyl)-2-[(3-phenyl-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) 4.78 -3.42 -13.25 1 4 0 54 406.33 5 ↓

Analogs

4167346
4167346

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Popular Name: N-(2,4-difluorophenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2,4-difluorophenyl)-2-[(3-phe…

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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 -1.14 -11.13 1 4 0 54 363.414 5 ↓

Analogs

2917459
2917459

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(3-chloro-4-methyl-phenyl)-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) 5.03 -2.5 -14.62 1 4 0 54 375.906 5 ↓

Analogs

2917461
2917461

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(5-chloro-2-methoxy-phenyl)-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) 4.64 -2.67 -13.14 1 5 0 64 391.905 6 ↓

Analogs

4167348
4167348

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Popular Name: N-(2-methoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2-methoxyphenyl)-2-[(3-phenyl…

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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) 3.98 -2.52 -12.3 1 5 0 64 357.46 6 ↓

Analogs

4167349
4167349

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Popular Name: N-(3-methoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(3-methoxyphenyl)-2-[(3-phenyl…

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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) 4.01 -2.65 -16.02 1 5 0 64 357.46 6 ↓

Analogs

4167353
4167353

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Popular Name: N-(2-ethoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2-ethoxyphenyl)-2-[(3-phenyl-…

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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) 4.36 -2.51 -11.93 1 5 0 64 371.487 7 ↓

Analogs

2917463
2917463

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Popular Name: N-(4-ethoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(4-ethoxyphenyl)-2-[(3-phenyl-…

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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) 4.41 -2.64 -14.57 1 5 0 64 371.487 7 ↓

Analogs

2917464
2917464

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2,4-dimethoxyphenyl)-2-[(3-ph…

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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) 4.01 -2.51 -12.96 1 6 0 73 387.486 7 ↓

Analogs

4167355
4167355

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(2,5-dimethoxyphenyl)-2-[(3-ph…

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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) 4.01 -2.52 -14.78 1 6 0 73 387.486 7 ↓

Analogs

4167358
4167358

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(3,4-dimethoxyphenyl)-2-[(3-ph…

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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) 3.62 -2.33 -16.29 1 6 0 73 387.486 7 ↓

Analogs

2917468
2917468

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Popular Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-acetamide 2-[(3-phenyl-1,2,4-thiadiazol-5-…

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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) 4.82 -0.25 -10.87 1 4 0 54 395.431 6 ↓

Analogs

2917470
2917470

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Popular Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]-acetamide 2-[(3-phenyl-1,2,4-thiadiazol-5-…

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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) 4.84 -0.49 -12.74 1 4 0 54 395.431 6 ↓

Analogs

2917471
2917471

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Popular Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]-acetamide 2-[(3-phenyl-1,2,4-thiadiazol-5-…

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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) 4.87 -0.49 -14.09 1 4 0 54 395.431 6 ↓

Analogs

9404017
9404017

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Popular Name: 2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]-acetamide 2-[(3-phenyl-1,2,4-thiadiazol-5-…

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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) 4.94 -1.15 -13.13 1 5 0 64 411.43 7 ↓

Analogs

4167368
4167368

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Popular Name: ethyl ethyl

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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) 4.65 -1.15 -11.68 1 6 0 81 399.497 8 ↓

Analogs

4167369
4167369

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Popular Name: ethyl ethyl

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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) 4.52 -1.57 -16.19 1 6 0 81 399.497 8 ↓

Analogs

4167370
4167370

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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) 4.14 -1.54 -16.42 1 6 0 81 385.47 7 ↓

Analogs

2917473
2917473

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Popular Name: N-(4-acetylphenyl)-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide N-(4-acetylphenyl)-2-[(3-phenyl-…

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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) 3.87 -2.23 -16.27 1 5 0 71 369.471 6 ↓

Analogs

4167371
4167371

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Popular Name: N-[4-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]aminophenyl]acetamide N-[4-[2-[(3-phenyl-1,2,4-thiadia…

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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 -3.77 -18.07 2 6 0 83 384.486 6 ↓

Analogs

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Popular Name: N-phenyl-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-phenyl-2-[[3-(p-tolyl)-1,2,4-t…

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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) 4.42 -2.33 -12.81 1 4 0 54 341.461 5 ↓

Analogs

4167218
4167218

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Popular Name: N-(o-tolyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(o-tolyl)-2-[[3-(p-tolyl)-1,2,…

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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) 4.82 -1.8 -12.72 1 4 0 54 355.488 5 ↓

Analogs

4167333
4167333
4167220
4167220

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Popular Name: N-(m-tolyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(m-tolyl)-2-[[3-(p-tolyl)-1,2,…

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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) 4.85 -2.02 -12.82 1 4 0 54 355.488 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(p-tolyl)-2-[[3-(p-tolyl)-1,2,…

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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) 4.87 -2.03 -12.87 1 4 0 54 355.488 5 ↓

Analogs

4167221
4167221

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Popular Name: N-(2,3-dimethylphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(2,3-dimethylphenyl)-2-[[3-(p-…

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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) 5.22 -1.51 -12.84 1 4 0 54 369.515 5 ↓

Analogs

4167223
4167223

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Popular Name: N-(2,5-dimethylphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(2,5-dimethylphenyl)-2-[[3-(p-…

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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) 5.25 -1.47 -12.81 1 4 0 54 369.515 5 ↓

Analogs

4167334
4167334
4167225
4167225
4167228
4167228

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Popular Name: N-(2,4-dimethylphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(2,4-dimethylphenyl)-2-[[3-(p-…

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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) 5.25 -1.45 -12.89 1 4 0 54 369.515 5 ↓

Analogs

4167226
4167226
4167326
4167326

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Popular Name: N-(3,5-dimethylphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(3,5-dimethylphenyl)-2-[[3-(p-…

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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) 5.25 -1.7 -12.89 1 4 0 54 369.515 5 ↓

Analogs

4167225
4167225
4167228
4167228
4167331
4167331

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Popular Name: 2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide 2-[[3-(p-tolyl)-1,2,4-thiadiazol…

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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) 4.69 -1.14 -12.39 1 4 0 54 383.542 5 ↓

Analogs

4167229
4167229

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Popular Name: N-(4-ethylphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(4-ethylphenyl)-2-[[3-(p-tolyl…

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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) 5.34 -1.87 -12.7 1 4 0 54 369.515 6 ↓

Analogs

4167231
4167231

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Popular Name: N-(4-butylphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(4-butylphenyl)-2-[[3-(p-tolyl…

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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) 6.29 -1.61 -12.55 1 4 0 54 397.569 8 ↓

Analogs

4167232
4167232

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Popular Name: N-(2-fluorophenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(2-fluorophenyl)-2-[[3-(p-toly…

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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 -1.56 -11.45 1 4 0 54 359.451 5 ↓

Analogs

4167234
4167234

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Popular Name: N-(3-fluorophenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(3-fluorophenyl)-2-[[3-(p-toly…

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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) 4.56 -1.61 -15.51 1 4 0 54 359.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[3-(p-toly…

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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) 4.59 -1.6 -13.68 1 4 0 54 359.451 5 ↓

Analogs

4167240
4167240

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Popular Name: N-(2,4-difluorophenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(2,4-difluorophenyl)-2-[[3-(p-…

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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 -0.82 -10.97 1 4 0 54 377.441 5 ↓

Analogs

4167246
4167246

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Popular Name: N-(2-methoxyphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(2-methoxyphenyl)-2-[[3-(p-tol…

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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) 4.43 -2.2 -12.17 1 5 0 64 371.487 6 ↓

Analogs

4167248
4167248

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Popular Name: N-(3-methoxyphenyl)-2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide N-(3-methoxyphenyl)-2-[[3-(p-tol…

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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) 4.46 -2.31 -13.26 1 5 0 64 371.487 6 ↓

Parameters Provided:

ring.id = 246181
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 = 246181 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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