UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15935423
15935423
42191975
42191975
42191979
42191979
42194810
42194810
42194812
42194812

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Popular Name: 2-[(R)-(2-aminophenyl)sulfinyl]-N-(2,4-dimethylphenyl)acetamide 2-[(R)-(2-aminophenyl)sulfinyl]-…

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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) 1.84 4.78 -19.52 3 4 0 72 302.399 4 ↓

Analogs

42191975
42191975
42191979
42191979
42194810
42194810
42194812
42194812
42194818
42194818

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Popular Name: 2-[(S)-(2-aminophenyl)sulfinyl]-N-(2,4-dimethylphenyl)acetamide 2-[(S)-(2-aminophenyl)sulfinyl]-…

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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) 1.84 4.78 -19.05 3 4 0 72 302.399 4 ↓

Analogs

40970769
40970769

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Popular Name: N-(4-aminophenyl)-2-[(R)-(2,5-difluorophenyl)sulfinyl]acetamide N-(4-aminophenyl)-2-[(R)-(2,5-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) 0.91 3.37 -19.76 3 4 0 72 310.325 4 ↓

Analogs

40970767
40970767

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Popular Name: N-(4-aminophenyl)-2-[(S)-(2,5-difluorophenyl)sulfinyl]acetamide N-(4-aminophenyl)-2-[(S)-(2,5-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) 0.91 3.26 -17.82 3 4 0 72 310.325 4 ↓

Analogs

40970773
40970773

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Popular Name: N-(2-aminophenyl)-2-[(R)-(2,5-difluorophenyl)sulfinyl]acetamide N-(2-aminophenyl)-2-[(R)-(2,5-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) 1.27 3.66 -19.69 3 4 0 72 310.325 4 ↓

Analogs

40970771
40970771

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Popular Name: N-(2-aminophenyl)-2-[(S)-(2,5-difluorophenyl)sulfinyl]acetamide N-(2-aminophenyl)-2-[(S)-(2,5-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) 1.27 3.55 -17.8 3 4 0 72 310.325 4 ↓

Analogs

40970844
40970844

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Popular Name: N-(3-aminophenyl)-2-[(R)-(2,5-difluorophenyl)sulfinyl]acetamide N-(3-aminophenyl)-2-[(R)-(2,5-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) 0.89 3.36 -19.75 3 4 0 72 310.325 4 ↓

Analogs

40970842
40970842

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Popular Name: N-(3-aminophenyl)-2-[(S)-(2,5-difluorophenyl)sulfinyl]acetamide N-(3-aminophenyl)-2-[(S)-(2,5-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) 0.89 3.25 -17.47 3 4 0 72 310.325 4 ↓

Analogs

40971370
40971370

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Popular Name: N-(4-amino-2-bromo-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(4-amino-2-bromo-phenyl)-2-[(S…

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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) 1.79 4.49 -17.06 3 4 0 72 367.268 4 ↓

Analogs

40971368
40971368

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Popular Name: N-(4-amino-2-bromo-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(4-amino-2-bromo-phenyl)-2-[(R…

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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) 1.79 4.42 -17.42 3 4 0 72 367.268 4 ↓

Analogs

40971378
40971378

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Popular Name: N-(2-amino-4-methyl-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-amino-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) 1.84 4.64 -19.17 3 4 0 72 302.399 4 ↓

Analogs

40971376
40971376

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Popular Name: N-(2-amino-4-methyl-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-amino-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) 1.84 4.68 -20.25 3 4 0 72 302.399 4 ↓

Analogs

40971382
40971382

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Popular Name: N-(5-amino-2-chloro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(5-amino-2-chloro-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) 1.66 4.36 -17.09 3 4 0 72 322.817 4 ↓

Analogs

40971380
40971380

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Popular Name: N-(5-amino-2-chloro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(5-amino-2-chloro-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) 1.66 4.3 -17.62 3 4 0 72 322.817 4 ↓

Analogs

40971386
40971386

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Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(3-amino-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) 1.84 4.5 -19.54 3 4 0 72 302.399 4 ↓

Analogs

40971384
40971384

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Popular Name: N-(3-amino-4-methyl-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(3-amino-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) 1.84 4.45 -19.18 3 4 0 72 302.399 4 ↓

Analogs

40971390
40971390

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Popular Name: N-(3-amino-4-fluoro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(3-amino-4-fluoro-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) 1.56 3.81 -19.56 3 4 0 72 306.362 4 ↓

Analogs

40971388
40971388

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Popular Name: N-(3-amino-4-fluoro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(3-amino-4-fluoro-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) 1.56 3.77 -19.31 3 4 0 72 306.362 4 ↓

Analogs

40971394
40971394

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Popular Name: N-(2-amino-4-chloro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-amino-4-chloro-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) 2.07 4.53 -18.9 3 4 0 72 322.817 4 ↓

Analogs

40971392
40971392

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Popular Name: N-(2-amino-4-chloro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-amino-4-chloro-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) 2.07 4.5 -19.33 3 4 0 72 322.817 4 ↓

Analogs

40971398
40971398

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Popular Name: N-(4-aminophenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(4-aminophenyl)-2-[(S)-o-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) 1.06 3.72 -19.94 3 4 0 72 288.372 4 ↓

Analogs

40971396
40971396

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Popular Name: N-(4-aminophenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(4-aminophenyl)-2-[(R)-o-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) 1.06 3.68 -19.16 3 4 0 72 288.372 4 ↓

Analogs

40971401
40971401

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Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(5-amino-2-fluoro-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) 1.15 3.83 -17.61 3 4 0 72 306.362 4 ↓

Analogs

40971400
40971400

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Popular Name: N-(5-amino-2-fluoro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(5-amino-2-fluoro-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) 1.15 3.77 -18.27 3 4 0 72 306.362 4 ↓

Analogs

40971405
40971405

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Popular Name: N-(3-amino-4-chloro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(3-amino-4-chloro-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) 2.07 4.31 -18.88 3 4 0 72 322.817 4 ↓

Analogs

40971403
40971403

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Popular Name: N-(3-amino-4-chloro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(3-amino-4-chloro-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) 2.07 4.27 -18.64 3 4 0 72 322.817 4 ↓

Analogs

40971409
40971409

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Popular Name: N-(2-aminophenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-aminophenyl)-2-[(S)-o-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) 1.42 4.01 -19.2 3 4 0 72 288.372 4 ↓

Analogs

40971407
40971407

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Popular Name: N-(2-aminophenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-aminophenyl)-2-[(R)-o-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) 1.42 3.98 -19.9 3 4 0 72 288.372 4 ↓

Analogs

40971413
40971413

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Popular Name: N-(4-amino-2-chloro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(4-amino-2-chloro-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) 1.66 4.36 -17.2 3 4 0 72 322.817 4 ↓

Analogs

40971411
40971411

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Popular Name: N-(4-amino-2-chloro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(4-amino-2-chloro-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) 1.66 4.3 -17.46 3 4 0 72 322.817 4 ↓

Analogs

40971417
40971417

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Popular Name: N-(5-amino-2-methyl-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(5-amino-2-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) 1.43 4.57 -19.07 3 4 0 72 302.399 4 ↓

Analogs

40971415
40971415

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Popular Name: N-(5-amino-2-methyl-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(5-amino-2-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) 1.43 4.57 -19.27 3 4 0 72 302.399 4 ↓

Analogs

40971421
40971421

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Popular Name: N-(4-amino-2-methyl-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(4-amino-2-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) 1.43 4.55 -19.33 3 4 0 72 302.399 4 ↓

Analogs

40971419
40971419

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Popular Name: N-(4-amino-2-methyl-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(4-amino-2-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) 1.43 4.56 -19.79 3 4 0 72 302.399 4 ↓

Analogs

40971425
40971425

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-amino-4-fluoro-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) 1.56 4.07 -19.4 3 4 0 72 306.362 4 ↓

Analogs

40971423
40971423

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Popular Name: N-(2-amino-4-fluoro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-amino-4-fluoro-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) 1.56 4.04 -19.81 3 4 0 72 306.362 4 ↓

Analogs

40971427
40971427

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Popular Name: N-(2-amino-5-chloro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-amino-5-chloro-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) 2.07 4.52 -20.11 3 4 0 72 322.817 4 ↓

Analogs

40971426
40971426

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Popular Name: N-(2-amino-5-chloro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-amino-5-chloro-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) 2.07 4.5 -21.4 3 4 0 72 322.817 4 ↓

Analogs

40971429
40971429

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Popular Name: N-(3-amino-2-methyl-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(3-amino-2-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) 1.82 4.68 -19.41 3 4 0 72 302.399 4 ↓

Analogs

40971428
40971428

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Popular Name: N-(3-amino-2-methyl-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(3-amino-2-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) 1.82 4.68 -19.97 3 4 0 72 302.399 4 ↓

Analogs

40971431
40971431
40971432
40971432
40971433
40971433

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Popular Name: (2S)-N-(2-aminophenyl)-2-[(S)-o-tolylsulfinyl]propanamide (2S)-N-(2-aminophenyl)-2-[(S)-o-…

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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 4.29 -16.74 3 4 0 72 302.399 4 ↓

Analogs

40971432
40971432
40971433
40971433
40971430
40971430

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Popular Name: (2S)-N-(2-aminophenyl)-2-[(R)-o-tolylsulfinyl]propanamide (2S)-N-(2-aminophenyl)-2-[(R)-o-…

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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 5.12 -21.58 3 4 0 72 302.399 4 ↓

Analogs

40971433
40971433
40971430
40971430
40971431
40971431

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-aminophenyl)-2-[(S)-o-tolylsulfinyl]propanamide (2R)-N-(2-aminophenyl)-2-[(S)-o-…

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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 5.21 -21.01 3 4 0 72 302.399 4 ↓

Analogs

40971430
40971430
40971431
40971431
40971432
40971432

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-aminophenyl)-2-[(R)-o-tolylsulfinyl]propanamide (2R)-N-(2-aminophenyl)-2-[(R)-o-…

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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 4.29 -16.58 3 4 0 72 302.399 4 ↓

Analogs

40971453
40971453

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Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-amino-6-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) 1.82 4.65 -18.99 3 4 0 72 302.399 4 ↓

Analogs

40971452
40971452

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Popular Name: N-(2-amino-6-methyl-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-amino-6-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) 1.82 4.68 -19.3 3 4 0 72 302.399 4 ↓

Analogs

40971459
40971459

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Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(S)-o-tolylsulfinyl]acetamide N-(2-amino-5-fluoro-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) 1.56 4.07 -21.09 3 4 0 72 306.362 4 ↓

Analogs

40971458
40971458

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Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[(R)-o-tolylsulfinyl]acetamide N-(2-amino-5-fluoro-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) 1.56 4.04 -22.58 3 4 0 72 306.362 4 ↓

Analogs

40971463
40971463

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Popular Name: N-(4-aminophenyl)-N-methyl-2-[(S)-o-tolylsulfinyl]acetamide N-(4-aminophenyl)-N-methyl-2-[(S…

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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 5.47 -20.63 2 4 0 63 302.399 4 ↓

Analogs

40971462
40971462

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Popular Name: N-(4-aminophenyl)-N-methyl-2-[(R)-o-tolylsulfinyl]acetamide N-(4-aminophenyl)-N-methyl-2-[(R…

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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 5.45 -20.08 2 4 0 63 302.399 4 ↓

Parameters Provided:

ring.id = 254025
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 = 254025 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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