UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5056127
5056127

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Popular Name: 2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-phenyl-acetamide 2-[(3-methyl-2-oxo-9-thia-3,5-di…

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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) 2.11 -2.02 -18.56 1 5 0 63 333.438 4 ↓

Analogs

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Popular Name: 2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(o-tolyl)acetamide 2-[(4-methyl-5-oxo-7-thia-2,4-di…

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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) 2.51 -1.48 -18.48 1 5 0 63 347.465 4 ↓

Analogs

9560215
9560215

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Popular Name: 2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(m-tolyl)acetamide 2-[(4-methyl-5-oxo-7-thia-2,4-di…

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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 -1.71 -18.47 1 5 0 63 347.465 4 ↓

Analogs

9560217
9560217

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Popular Name: 2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(4-methyl-5-oxo-7-thia-2,4-di…

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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) 2.56 -1.71 -18.56 1 5 0 63 347.465 4 ↓

Analogs

9560213
9560213

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Popular Name: N-(2,3-dimethylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl N-(2,3-dimethylphenyl)-2-[(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) 2.91 -1.25 -18.67 1 5 0 63 361.492 4 ↓

Analogs

9560212
9560212

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Popular Name: N-(2,5-dimethylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl N-(2,5-dimethylphenyl)-2-[(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) 2.93 -1.16 -18.54 1 5 0 63 361.492 4 ↓

Analogs

9560216
9560216

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Popular Name: N-(2,4-dimethylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl N-(2,4-dimethylphenyl)-2-[(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) 2.93 -1.13 -18.56 1 5 0 63 361.492 4 ↓

Analogs

9560210
9560210

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Popular Name: N-(3,5-dimethylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl N-(3,5-dimethylphenyl)-2-[(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) 2.93 -1.39 -18.52 1 5 0 63 361.492 4 ↓

Analogs

9560214
9560214

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Popular Name: 2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(2,4,6-trimethylphe 2-[(4-methyl-5-oxo-7-thia-2,4-di…

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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) 2.37 -0.83 -18.17 1 5 0 63 375.519 4 ↓

Analogs

9560211
9560211

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Popular Name: N-(4-ethylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]acet N-(4-ethylphenyl)-2-[(4-methyl-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) 3.02 -1.56 -18.34 1 5 0 63 361.492 5 ↓

Analogs

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Popular Name: N-(4-butylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]acet N-(4-butylphenyl)-2-[(4-methyl-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) 3.97 -1.3 -18.27 1 5 0 63 389.546 7 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]ace N-(2-fluorophenyl)-2-[(3-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) 2.22 7.26 -17.18 1 5 0 64 351.428 4 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]ace N-(3-fluorophenyl)-2-[(3-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) 2.25 7.23 -21.29 1 5 0 64 351.428 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]ace N-(4-chlorophenyl)-2-[(3-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) 2.79 -2.17 -18.96 1 5 0 63 367.883 4 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]acet N-(4-bromophenyl)-2-[(3-methyl-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) 2.92 -2.78 -18.89 1 5 0 63 412.334 4 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl N-(2,4-difluorophenyl)-2-[(3-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) 2.36 -0.51 -16.85 1 5 0 63 369.418 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)su 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) 3.16 -1.87 -20.15 1 5 0 63 381.91 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)s 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) 2.77 7.09 -18.81 1 6 0 73 397.909 5 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]ac N-(4-methoxyphenyl)-2-[(3-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) 2.17 -2.02 -20.32 1 6 0 73 363.464 5 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]ace N-(2-ethoxyphenyl)-2-[(4-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) 2.49 -1.87 -17.52 1 6 0 73 377.491 6 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]ace N-(4-ethoxyphenyl)-2-[(4-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) 2.54 -2.01 -20.18 1 6 0 73 377.491 6 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfany N-(2,4-dimethoxyphenyl)-2-[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 -1.88 -18.63 1 7 0 82 393.49 6 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[(3-methyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfany N-(2,5-dimethoxyphenyl)-2-[(3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 5.85 -20.41 1 7 0 82 393.49 6 ↓

Analogs

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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) 2.79 -0.51 -17.14 1 7 0 90 405.501 7 ↓

Analogs

9560235
9560235

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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) 2.66 -0.93 -21.95 1 7 0 90 405.501 7 ↓

Analogs

9560234
9560234

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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) 2.28 -0.9 -22.11 1 7 0 90 391.474 6 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[(4-methyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]ace N-(4-acetylphenyl)-2-[(4-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) 2.01 -1.59 -22.01 1 6 0 81 375.475 5 ↓

Analogs

5056194
5056194

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-phenyl-acetamide 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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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) 2.48 -1.78 -18.4 1 5 0 63 347.465 5 ↓

Analogs

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-(o-tolyl)acetamide 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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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) 2.89 -1.24 -18.3 1 5 0 63 361.492 5 ↓

Analogs

5056182
5056182

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-(m-tolyl)acetamide 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 -1.47 -18.32 1 5 0 63 361.492 5 ↓

Analogs

9560260
9560260

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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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) 2.93 -1.47 -18.39 1 5 0 63 361.492 5 ↓

Analogs

5056179
5056179

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Popular Name: N-(2,3-dimethylphenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl] N-(2,3-dimethylphenyl)-2-[(3-eth…

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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) 3.29 -1.01 -18.45 1 5 0 63 375.519 5 ↓

Analogs

5056181
5056181

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-(2,4,6-trimethylphen 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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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) 2.75 -0.58 -17.95 1 5 0 63 389.546 5 ↓

Analogs

9560257
9560257

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Popular Name: 2-[(4-ethyl-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl)sulfanyl]-N-(4-ethylphenyl)-acet 2-[(4-ethyl-5-oxo-7-thia-2,4-dia…

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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 -1.31 -18.19 1 5 0 63 375.519 6 ↓

Analogs

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-(3-fluorophenyl)-ace 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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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 -1.05 -20.99 1 5 0 63 365.455 5 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]acet N-(3-chlorophenyl)-2-[(3-ethyl-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) 3.14 -1.94 -19.98 1 5 0 63 381.91 5 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]aceta N-(4-bromophenyl)-2-[(3-ethyl-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) 3.29 -2.54 -18.75 1 5 0 63 426.361 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl] N-(2,4-difluorophenyl)-2-[(3-eth…

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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 8.27 -16.82 1 5 0 64 383.445 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sul 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) 3.54 -1.62 -20.01 1 5 0 63 395.937 5 ↓

Analogs

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Popular Name: 2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]-N-(4-methoxyphenyl)-ac 2-[(3-ethyl-2-oxo-9-thia-3,5-dia…

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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) 2.54 7.39 -19.62 1 6 0 73 377.491 6 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]acet N-(2-ethoxyphenyl)-2-[(3-ethyl-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) 2.87 -1.63 -17.4 1 6 0 73 391.518 7 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]acet N-(4-ethoxyphenyl)-2-[(3-ethyl-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) 2.92 -1.75 -19.94 1 6 0 73 391.518 7 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl N-(3,4-dimethoxyphenyl)-2-[(3-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) 2.13 7.3 -21.87 1 7 0 82 407.517 7 ↓

Analogs

20154920
20154920

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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) 3.03 -0.69 -21.76 1 7 0 90 419.528 8 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[(3-ethyl-2-oxo-9-thia-3,5-diazabicyclo[4.3.0]nona-4,10-dien-4-yl)sulfanyl]acet N-(4-acetylphenyl)-2-[(3-ethyl-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) 2.38 -1.41 -25.08 1 6 0 81 389.502 6 ↓

Analogs

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Popular Name: 2-[[4-(2-methoxyethyl)-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N-(o-tolyl) 2-[[4-(2-methoxyethyl)-5-oxo-7-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) 2.49 -1.68 -20.58 1 6 0 73 391.518 7 ↓

Analogs

9560290
9560290

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Popular Name: N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-y N-(2,4-dimethylphenyl)-2-[[4-(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) 2.92 -1.3 -20.64 1 6 0 73 405.545 7 ↓

Analogs

5056221
5056221

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Popular Name: N-(3,5-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-y N-(3,5-dimethylphenyl)-2-[[4-(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) 2.92 -1.56 -20.66 1 6 0 73 405.545 7 ↓

Analogs

9560288
9560288

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Popular Name: 2-[[4-(2-methoxyethyl)-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl]sulfanyl]-N-(2,4,6-tr 2-[[4-(2-methoxyethyl)-5-oxo-7-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) 2.36 -1 -20.19 1 6 0 73 419.572 7 ↓

Analogs

5056222
5056222

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Popular Name: N-(4-ethylphenyl)-2-[[4-(2-methoxyethyl)-5-oxo-7-thia-2,4-diazabicyclo[4.3.0]nona-2,10-dien-3-yl]sul N-(4-ethylphenyl)-2-[[4-(2-metho…

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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 -1.71 -20.46 1 6 0 73 405.545 8 ↓

Parameters Provided:

ring.id = 7472
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 = 7472 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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