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

5780426
5780426

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Popular Name: N-(3-acetylphenyl)-2-(5-chlorobenzothiazol-2-yl)sulfanyl-propanamide N-(3-acetylphenyl)-2-(5-chlorobe…

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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) 4.79 -1.41 -16.54 1 4 0 59 390.917 5 ↓

Analogs

5780425
5780425

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Popular Name: N-(3-acetylphenyl)-2-(5-chlorobenzothiazol-2-yl)sulfanyl-propanamide N-(3-acetylphenyl)-2-(5-chlorobe…

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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) 4.79 -1.42 -16.71 1 4 0 59 390.917 5 ↓

Analogs

5780597
5780597

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-fluorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 7.88 -9.02 1 3 0 42 352.843 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.86 -1.14 -11.37 1 6 0 87 393.877 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,5-difluorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 -0.91 -12.14 1 3 0 41 370.833 4 ↓

Analogs

44625817
44625817

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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) 5.10 -0.75 -19.97 1 5 0 68 406.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-fluorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 1.35 -16.52 0 4 0 56 405.907 6 ↓

Analogs

5780499
5780499

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-fluorophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 -1.1 -7.5 1 3 0 41 366.87 4 ↓

Analogs

5780498
5780498

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-fluorophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 -1.11 -7.63 1 3 0 41 366.87 4 ↓

Analogs

5780503
5780503

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-cyanophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 -0.51 -13.51 1 4 0 65 373.89 4 ↓

Analogs

5780502
5780502

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-cyanophenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 -0.53 -13.28 1 4 0 65 373.89 4 ↓

Analogs

5780516
5780516

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methoxyphenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.92 -1.74 -8.45 1 4 0 51 378.906 5 ↓

Analogs

5780515
5780515

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methoxyphenyl)-propanamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.92 -1.75 -8.44 1 4 0 51 378.906 5 ↓

Analogs

5780545
5780545

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Popular Name: 4-[2-(5-chlorobenzothiazol-2-yl)sulfanylpropanoylamino]benzamide 4-[2-(5-chlorobenzothiazol-2-yl)…

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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) 3.73 -4.58 -16.44 3 5 0 85 391.905 5 ↓

Analogs

5780544
5780544

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Popular Name: 4-[2-(5-chlorobenzothiazol-2-yl)sulfanylpropanoylamino]benzamide 4-[2-(5-chlorobenzothiazol-2-yl)…

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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) 3.73 -4.61 -13.23 3 5 0 85 391.905 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.72 -1.43 -16.52 1 4 0 65 405.957 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,3-dimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 5.35 -1.66 -12.78 1 3 0 41 362.907 4 ↓

Analogs

1230692
1230692
3099352
3099352

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3,4-dichlorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 5.83 8.79 -9.02 1 3 0 42 403.743 4 ↓

Analogs

5780601
5780601
554290
554290

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 -1.54 -8.8 1 3 0 41 362.907 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(3-cyanophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.28 -1.05 -18.29 1 4 0 65 359.863 4 ↓

Analogs

5780601
5780601
554290
554290

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-ethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 5.42 -1.66 -12.03 1 3 0 41 362.907 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,5-dimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 5.38 -1.57 -12.7 1 3 0 41 362.907 4 ↓

Analogs

5780601
5780601

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Popular Name: 4-[2-(5-chlorobenzothiazol-2-yl)sulfanylacetyl]aminobenzamide 4-[2-(5-chlorobenzothiazol-2-yl)…

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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) 3.37 4.64 -14.02 3 5 0 85 377.878 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.72 -1.25 -12.1 1 5 0 68 392.889 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-isopropyl-6-methyl-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 5.00 -1 -8.42 1 3 0 41 390.961 5 ↓

Analogs

2225301
2225301

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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 10.12 -8.84 1 3 0 42 376.934 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2,6-dichlorophenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 5.81 -2.28 -9.48 1 3 0 41 403.743 4 ↓

Analogs

6363178
6363178
88659
88659
1230692
1230692

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Popular Name: N-[4-[2-(5-chlorobenzothiazol-2-yl)sulfanylacetyl]aminophenyl]acetamide N-[4-[2-(5-chlorobenzothiazol-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) 3.77 6.72 -17.72 2 5 0 71 391.905 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-fluoro-5-nitro-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.60 -1.13 -16.63 1 6 0 87 397.84 5 ↓

Analogs

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Popular Name: 2-(5-chlorobenzothiazol-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)-acetamide 2-(5-chlorobenzothiazol-2-yl)sul…

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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) 4.49 -1.78 -14.37 1 7 0 97 409.876 6 ↓

Analogs

10964312
10964312
13118028
13118028
3423376
3423376
2742764
2742764
5780579
5780579

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Popular Name: 2-[2-(5-chlorobenzothiazol-2-yl)sulfanylacetyl]aminobenzamide 2-[2-(5-chlorobenzothiazol-2-yl)…

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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) 3.32 5.05 -12.35 3 5 0 85 377.878 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(methyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide N-[2-[2-(methyl-phenyl-amino)-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) 4.17 8.85 -20.62 1 5 0 62 385.514 6 ↓

Analogs

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Popular Name: N-(2-((2-(methyl(phenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)butyramide N-(2-((2-(methyl(phenyl)amino)-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) 4.73 9.61 -20.35 1 5 0 62 399.541 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-((2-(methyl(phenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-(methyl(phenyl)amino)-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) 4.42 9.52 -19.97 1 5 0 62 399.541 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(methyl-phenyl-amino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]pentanamide N-[2-[2-(methyl-phenyl-amino)-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) 5.24 10.39 -20.46 1 5 0 62 413.568 8 ↓

Analogs

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Popular Name: 3-methyl-N-(2-((2-(methyl(phenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)butanamide 3-methyl-N-(2-((2-(methyl(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) 4.95 10.21 -19.75 1 5 0 62 413.568 7 ↓

Analogs

33000435
33000435

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Popular Name: N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-oxo-2-(o-tolylamino)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) 4.57 8.49 -21.33 2 5 0 71 399.541 6 ↓

Analogs

20716056
20716056
20716060
20716060

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)pentanamide N-(2-((2-oxo-2-(o-tolylamino)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) 5.39 9.38 -21.86 2 5 0 71 413.568 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)butanamide 3-methyl-N-(2-((2-oxo-2-(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) 5.10 9.19 -21 2 5 0 71 413.568 7 ↓

Analogs

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Popular Name: 2-ethyl-N-(2-((2-oxo-2-(o-tolylamino)ethyl)thio)benzo[d]thiazol-6-yl)butanamide 2-ethyl-N-(2-((2-oxo-2-(o-tolyla…

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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) 5.58 9.71 -21.05 2 5 0 71 427.595 8 ↓

Analogs

34856481
34856481

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Popular Name: N-(2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)propionamide N-(2-((2-((3-methoxyphenyl)amino…

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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) 3.96 6.32 -22.03 2 6 0 80 401.513 7 ↓

Analogs

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Popular Name: N-[2-[2-[(3-methoxyphenyl)amino]-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide N-[2-[2-[(3-methoxyphenyl)amino]…

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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 7.08 -21.82 2 6 0 80 415.54 8 ↓

Analogs

34856481
34856481

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Popular Name: N-(2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-((3-methoxyphenyl)amino…

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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) 4.21 6.99 -21.41 2 6 0 80 415.54 7 ↓

Analogs

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)butyramide N-(2-((2-((2,4-dimethylphenyl)am…

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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) 5.31 9.24 -21.69 2 5 0 71 413.568 7 ↓

Analogs

20895019
20895019

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)isobutyramide N-(2-((2-((2,4-dimethylphenyl)am…

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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) 5.00 9.15 -21.29 2 5 0 71 413.568 6 ↓

Analogs

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)pentanamide N-(2-((2-((2,4-dimethylphenyl)am…

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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) 5.82 10.02 -21.8 2 5 0 71 427.595 8 ↓

Analogs

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-3-methylbutanamide N-(2-((2-((2,4-dimethylphenyl)am…

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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) 5.53 9.85 -21.28 2 5 0 71 427.595 7 ↓

Analogs

20895012
20895012

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)pivalamide N-(2-((2-((2,4-dimethylphenyl)am…

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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) 5.58 9.71 -21.12 2 5 0 71 427.595 6 ↓

Analogs

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Popular Name: N-(2-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)-2-ethylbutanamide N-(2-((2-((2,4-dimethylphenyl)am…

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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) 6.00 10.33 -21.22 2 5 0 71 441.622 8 ↓

Analogs

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Popular Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-(4-methoxyphenyl)amino]propanamide 3-[[2-[(5-chloro-1,3-benzothiazo…

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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) 3.85 6.54 -13.88 2 6 0 86 435.958 8 ↓

Parameters Provided:

ring.id = 2726
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 = 2726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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