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

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Popular Name: 2-[benzyl(isopropyl)amino]-N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[benzyl(isopropyl)amino]-N-but…

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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 7.95 -45.44 1 5 1 59 381.562 9 ↓
Hi High (pH 8-9.5) 2.72 6.54 -16.56 0 5 0 58 380.554 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[benzyl(isopropyl)amino]-N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[benzyl(isopropyl)amino]-N-but…

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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 8.4 -42.16 1 5 1 59 381.562 9 ↓
Hi High (pH 8-9.5) 2.72 6.76 -17.84 0 5 0 58 380.554 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[(4-chlorophenyl)methyl-methyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[(4-chlorophenyl)methy…

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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 8.25 -62.22 1 5 1 59 387.953 8 ↓
Mid Mid (pH 6-8) 2.73 6.02 -18.61 0 5 0 58 386.945 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[(4-chlorophenyl)methyl-methyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[(4-chlorophenyl)methy…

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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 8.27 -64.82 1 5 1 59 387.953 8 ↓
Mid Mid (pH 6-8) 2.73 6.04 -19.72 0 5 0 58 386.945 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[(3-chlorophenyl)methyl-methyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[(3-chlorophenyl)methy…

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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) 2.70 8.27 -60.29 1 5 1 59 387.953 8 ↓
Mid Mid (pH 6-8) 2.70 6.01 -18.74 0 5 0 58 386.945 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[(3-chlorophenyl)methyl-methyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide N-butyl-2-[(3-chlorophenyl)methy…

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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) 2.70 8.26 -63.2 1 5 1 59 387.953 8 ↓
Mid Mid (pH 6-8) 2.70 6.03 -19.7 0 5 0 58 386.945 8 ↓

Analogs

12855088
12855088

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Popular Name: 2-[(4-bromophenyl)methyl-methyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(4-bromophenyl)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) 1.68 4.4 -60.23 2 5 1 68 376.296 5 ↓

Analogs

12855080
12855080

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Popular Name: 2-[(4-bromophenyl)methyl-methyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(4-bromophenyl)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) 1.68 4.4 -61.18 2 5 1 68 376.296 5 ↓

Analogs

12855111
12855111

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Popular Name: 2-[(3-chlorophenyl)methyl-methyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(3-chlorophenyl)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) 1.52 4.28 -59.39 2 5 1 68 331.845 5 ↓

Analogs

12855105
12855105

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Popular Name: 2-[(3-chlorophenyl)methyl-methyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(3-chlorophenyl)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) 1.52 4.29 -59.58 2 5 1 68 331.845 5 ↓

Analogs

12855287
12855287

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Popular Name: 2-[(2-methoxyphenyl)methyl-methyl-amino]-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[(2-methoxyphenyl)methyl-methy…

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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) 1.32 3.7 -48.66 2 6 1 77 341.453 6 ↓

Analogs

12855280
12855280

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Popular Name: 2-[(2-methoxyphenyl)methyl-methyl-amino]-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]acetamide 2-[(2-methoxyphenyl)methyl-methy…

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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) 1.32 3.88 -46.02 2 6 1 77 341.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,6-difluorophenyl)methyl-ethyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(2,6-difluorophenyl)methyl-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) 1.48 4.36 -48.82 2 5 1 68 347.407 6 ↓
Mid Mid (pH 6-8) 1.48 2.32 -18.72 1 5 0 66 346.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,6-difluorophenyl)methyl-ethyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(2,6-difluorophenyl)methyl-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) 1.48 4.41 -45.17 2 5 1 68 347.407 6 ↓
Mid Mid (pH 6-8) 1.48 2.33 -17.86 1 5 0 66 346.399 6 ↓

Analogs

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Popular Name: 2-[(4-cyanophenyl)methyl-isopropyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(4-cyanophenyl)methyl-isoprop…

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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) 1.30 4.93 -64.58 2 6 1 91 350.464 6 ↓
Mid Mid (pH 6-8) 1.30 3.06 -20.87 1 6 0 90 349.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-cyanophenyl)methyl-isopropyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(4-cyanophenyl)methyl-isoprop…

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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) 1.30 4.79 -63.7 2 6 1 91 350.464 6 ↓
Mid Mid (pH 6-8) 1.30 3.08 -18.78 1 6 0 90 349.456 6 ↓

Analogs

14246254
14246254
24811262
24811262
24811266
24811266
32160483
32160483
32160485
32160485

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(2,4-dimethylphenyl)methyl-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) 1.81 7.82 -54.07 1 5 1 59 353.508 6 ↓

Analogs

24811262
24811262
24811266
24811266
32160483
32160483
32160485
32160485
14246253
14246253

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-dimethylphenyl)methyl-methyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(2,4-dimethylphenyl)methyl-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) 1.81 7.92 -53.65 1 5 1 59 353.508 6 ↓

Analogs

14249585
14249585

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Popular Name: 2-[(3-bromophenyl)methyl-ethyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(3-bromophenyl)methyl-ethyl-a…

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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 5.11 -53.66 2 5 1 68 390.323 6 ↓

Analogs

14249583
14249583

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-bromophenyl)methyl-ethyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(3-bromophenyl)methyl-ethyl-a…

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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 5.11 -53.6 2 5 1 68 390.323 6 ↓

Analogs

14249629
14249629

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Popular Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methyl-ethyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[(2-bromo-4,5-diethoxy-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) 2.38 6.14 -56.92 2 7 1 86 478.429 10 ↓

Analogs

14249627
14249627

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Popular Name: 2-[(2-bromo-4,5-diethoxy-phenyl)methyl-ethyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[(2-bromo-4,5-diethoxy-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) 2.38 5.87 -54.67 2 7 1 86 478.429 10 ↓

Analogs

14251469
14251469
45469146
45469146
45469149
45469149

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromophenyl)methyl-methyl-amino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(2-bromophenyl)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) 1.75 7.13 -50.09 1 5 1 59 404.35 6 ↓

Analogs

45469146
45469146
45469149
45469149
14251467
14251467

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromophenyl)methyl-methyl-amino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-acetamide 2-[(2-bromophenyl)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) 1.75 7.05 -50.55 1 5 1 59 404.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-fluorophenyl)methyl-methyl-amino]acetamide N-[(3R)-1,1-dioxothiolan-3-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) 0.98 3.6 -54.12 2 5 1 68 315.39 5 ↓
Mid Mid (pH 6-8) 0.98 1.36 -18.85 1 5 0 66 314.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-fluorophenyl)methyl-methyl-amino]acetamide N-[(3S)-1,1-dioxothiolan-3-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) 0.98 3.78 -53.61 2 5 1 68 315.39 5 ↓
Mid Mid (pH 6-8) 0.98 1.53 -18.37 1 5 0 66 314.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[[(1S)-1-(2-chlorophenyl)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) 1.81 1.84 -16.42 2 5 0 75 330.837 5 ↓
Lo Low (pH 4.5-6) 1.81 2.97 -55.95 3 5 1 80 331.845 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide 2-[[(1R)-1-(2-chlorophenyl)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) 1.81 1.99 -16.76 2 5 0 75 330.837 5 ↓
Lo Low (pH 4.5-6) 1.81 2.97 -55.91 3 5 1 80 331.845 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[[(1S)-1-(2-chlorophenyl)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) 1.81 1.85 -15.6 2 5 0 75 330.837 5 ↓
Lo Low (pH 4.5-6) 1.81 2.97 -55.41 3 5 1 80 331.845 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide 2-[[(1R)-1-(2-chlorophenyl)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) 1.81 2 -15.87 2 5 0 75 330.837 5 ↓
Lo Low (pH 4.5-6) 1.81 2.97 -55.12 3 5 1 80 331.845 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-hydroxyphenyl)methyl-methyl-amino]-N-methyl-propanamide (2S)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 0.88 3.03 -52.49 2 6 1 79 341.453 5 ↓
Hi High (pH 8-9.5) 0.88 0.75 -18.65 1 6 0 78 340.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-hydroxyphenyl)methyl-methyl-amino]-N-methyl-propanamide (2R)-N-[(3R)-1,1-dioxothiolan-3-…

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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) 0.88 3.14 -51.96 2 6 1 79 341.453 5 ↓
Hi High (pH 8-9.5) 0.88 0.91 -20.57 1 6 0 78 340.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-hydroxyphenyl)methyl-methyl-amino]-N-methyl-propanamide (2S)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 0.88 3.06 -52.02 2 6 1 79 341.453 5 ↓
Hi High (pH 8-9.5) 0.88 0.78 -16.93 1 6 0 78 340.445 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-hydroxyphenyl)methyl-methyl-amino]-N-methyl-propanamide (2R)-N-[(3S)-1,1-dioxothiolan-3-…

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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) 0.88 2.96 -49.36 2 6 1 79 341.453 5 ↓
Hi High (pH 8-9.5) 0.88 0.36 -20.2 1 6 0 78 340.445 5 ↓

Analogs

36451909
36451909
12997124
12997124
12997126
12997126

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Popular Name: N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide N-[(3R)-3-methyl-1,1-dioxo-thiol…

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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) 1.87 4.85 -46.49 2 5 1 68 325.454 5 ↓

Parameters Provided:

ring.id = 20309
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 = 20309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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