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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-…

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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 8.49 -24.1 1 9 0 104 388.384 3 ↓

Analogs

36642177
36642177

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Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide N-(1,3-benzothiazol-2-yl)-N-(2-d…

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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) 1.70 11.9 -63.17 1 10 1 99 442.525 6 ↓

Analogs

36642146
36642146

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide N-(1,3-benzothiazol-2-yl)-N-(2-d…

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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) 2.45 13.24 -64.78 1 10 1 99 470.579 8 ↓

Analogs

36642238
36642238
9088743
9088743

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)ac N-(2-dimethylaminoethyl)-2-(1,3-…

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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) 1.73 11.18 -65.19 1 11 1 109 472.551 7 ↓

Analogs

36642208
36642208
9088743
9088743

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)ace N-(2-diethylaminoethyl)-2-(1,3-d…

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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 12.53 -66.75 1 11 1 109 500.605 9 ↓

Analogs

36642298
36642298
9088743
9088743

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ace N-(2-dimethylaminoethyl)-2-(1,3-…

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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) 2.11 12.1 -68.99 1 11 1 109 486.578 8 ↓

Analogs

36642268
36642268

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acet N-(2-diethylaminoethyl)-2-(1,3-d…

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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) 2.86 13.47 -66.42 1 11 1 109 514.632 10 ↓

Analogs

36642358
36642358

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ace N-(6-chloro-1,3-benzothiazol-2-y…

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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) 2.35 12.42 -64.16 1 10 1 99 476.97 6 ↓

Analogs

36642328
36642328

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acet N-(6-chloro-1,3-benzothiazol-2-y…

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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) 3.10 13.76 -65.56 1 10 1 99 505.024 8 ↓

Analogs

36642418
36642418

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)ace N-(2-dimethylaminoethyl)-2-(1,3-…

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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) 1.84 11.97 -64.58 1 10 1 99 460.515 6 ↓

Analogs

36642388
36642388

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acet N-(2-diethylaminoethyl)-2-(1,3-d…

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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) 2.59 13.33 -66.02 1 10 1 99 488.569 8 ↓

Analogs

60229343
60229343

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acet N-(6-bromo-1,3-benzothiazol-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) 2.48 12.52 -64.15 1 10 1 99 521.421 6 ↓

Analogs

36642533
36642533

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)ace N-(2-dimethylaminoethyl)-2-(1,3-…

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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) 2.08 12.32 -76.11 1 11 1 109 486.578 8 ↓

Analogs

36642503
36642503

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acet N-(2-diethylaminoethyl)-2-(1,3-d…

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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) 2.84 13.68 -73.52 1 11 1 109 514.632 10 ↓

Analogs

36642593
36642593

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)ace N-(2-dimethylaminoethyl)-2-(1,3-…

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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) 1.81 11.98 -61.95 1 10 1 99 460.515 6 ↓

Analogs

36642563
36642563

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)acet N-(2-diethylaminoethyl)-2-(1,3-d…

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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) 2.57 13.04 -41.88 1 10 1 99 488.569 8 ↓

Analogs

36642653
36642653

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl N-(4,6-difluoro-1,3-benzothiazol…

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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) 1.93 12.04 -61.76 1 10 1 99 478.505 6 ↓

Analogs

36642623
36642623

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl) N-(2-diethylaminoethyl)-N-(4,6-d…

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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) 2.68 13.39 -63.26 1 10 1 99 506.559 8 ↓

Analogs

36642713
36642713

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl N-(2-dimethylaminoethyl)-N-(5,7-…

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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) 2.50 13.2 -67.58 1 10 1 99 470.579 6 ↓

Analogs

36642683
36642683

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl) N-(2-diethylaminoethyl)-N-(5,7-d…

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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) 3.25 14.54 -64.33 1 10 1 99 498.633 8 ↓

Analogs

36642773
36642773

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl N-(2-dimethylaminoethyl)-N-(4,6-…

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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) 2.50 13.49 -73.11 1 10 1 99 470.579 6 ↓

Analogs

36642743
36642743

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl) N-(2-diethylaminoethyl)-N-(4,6-d…

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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) 3.25 14.84 -69.8 1 10 1 99 498.633 8 ↓

Analogs

36642833
36642833

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-y N-(4,7-dimethoxy-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) 1.72 10.45 -65.61 1 12 1 118 502.577 8 ↓

Analogs

36642803
36642803

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl N-(2-diethylaminoethyl)-N-(4,7-d…

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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) 2.47 11.79 -66.97 1 12 1 118 530.631 10 ↓

Analogs

36642891
36642891

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazo N-(2-dimethylaminoethyl)-2-(1,3-…

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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) 2.11 11.82 -67.59 1 11 1 109 486.578 7 ↓

Analogs

36642861
36642861

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol N-(2-diethylaminoethyl)-2-(1,3-d…

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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) 2.86 13.18 -64.21 1 11 1 109 514.632 9 ↓

Analogs

36642952
36642952

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin N-(7-chloro-4-methyl-1,3-benzoth…

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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 13.34 -72.14 1 10 1 99 490.997 6 ↓

Analogs

36642921
36642921

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin- N-(7-chloro-4-methyl-1,3-benzoth…

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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) 3.48 14.68 -69.01 1 10 1 99 519.051 8 ↓

Analogs

36643012
36643012

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl N-(2-dimethylaminoethyl)-N-(4,5-…

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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) 2.50 13.37 -72.67 1 10 1 99 470.579 6 ↓

Analogs

36642982
36642982

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl) N-(2-diethylaminoethyl)-N-(4,5-d…

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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) 3.25 14.74 -70.11 1 10 1 99 498.633 8 ↓

Analogs

36643073
36643073

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin N-(5-chloro-4-methyl-1,3-benzoth…

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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 13.25 -74.19 1 10 1 99 490.997 6 ↓

Analogs

36643042
36643042

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-purin- N-(5-chloro-4-methyl-1,3-benzoth…

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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) 3.48 14.61 -71.74 1 10 1 99 519.051 8 ↓

Analogs

60229800
60229800

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(1,3-dimethyl-2,6-dioxo-puri N-(7-chloro-4-methoxy-1,3-benzot…

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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) 2.34 11.91 -70.91 1 11 1 109 506.996 7 ↓

Analogs

38575470
38575470

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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) 1.57 9.06 -26.27 1 11 0 130 428.43 5 ↓

Analogs

38575460
38575460

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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) 1.95 9.98 -26.04 1 11 0 130 442.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide N-(4,5-dimethyl-1,3-benzothiazol…

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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) 2.23 9.34 -23.05 1 9 0 104 398.448 3 ↓

Parameters Provided:

ring.id = 105413
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 = 105413 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=105413&filter.purchasability=annotated

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