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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: 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) 3.68 9.47 -16.31 1 5 0 72 372.471 4 ↓

Analogs

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Popular Name: (3,4-difluorophenyl)BLAHone (3,4-difluorophenyl)BLAHone

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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) 3.82 8.18 -9.18 1 3 0 46 336.388 1 ↓
Hi High (pH 8-9.5) 4.28 6.5 -39.72 0 3 -1 49 335.38 1 ↓

Analogs

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Popular Name: 1-naphthylmethylBLAHone 1-naphthylmethylBLAHone

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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) 4.67 10.95 -11.99 1 3 0 46 364.495 2 ↓

Analogs

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Popular Name: phenoxymethylBLAHone phenoxymethylBLAHone

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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) 3.20 7.66 -12.27 1 4 0 55 330.434 3 ↓

Analogs

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Popular Name: (4-isopropoxyphenyl)BLAHone (4-isopropoxyphenyl)BLAHone

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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) 4.36 8.92 -9.03 1 4 0 55 358.488 3 ↓

Analogs

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Popular Name: [3-(methoxymethyl)phenyl]BLAHone [3-(methoxymethyl)phenyl]BLAHone

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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) 3.49 7.77 -10.11 1 4 0 55 344.461 3 ↓

Analogs

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Popular Name: [4-(methylsulfanylmethyl)phenyl]BLAHone [4-(methylsulfanylmethyl)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) 4.06 9.94 -9.54 1 3 0 46 360.529 3 ↓

Analogs

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Popular Name: 3-[(oxoBLAHyl)methyl]benzamide 3-[(oxoBLAHyl)methyl]benzamide

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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) 2.31 5.6 -17.94 3 5 0 89 357.46 3 ↓

Analogs

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Popular Name: (benzylthio)-dimethyl-(m-tolyl)BLAHone (benzylthio)-dimethyl-(m-tolyl)B…

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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) 6.75 0.11 -10.04 0 3 0 34 464.681 4 ↓

Analogs

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Popular Name: (allylthio)-dimethyl-(p-tolyl)BLAHone (allylthio)-dimethyl-(p-tolyl)BL…

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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) 5.61 0.39 -9.28 0 3 0 34 414.621 4 ↓

Analogs

40176472
40176472

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Popular Name: allyl-(benzylthio)-dimethyl-BLAHone allyl-(benzylthio)-dimethyl-BLAHone

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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) 5.48 -0.14 -8.57 0 3 0 34 414.621 5 ↓

Analogs

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Popular Name: dimethyl-(2-methylallylthio)-(p-tolyl)BLAHone dimethyl-(2-methylallylthio)-(p-…

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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) 6.16 0.69 -9.13 0 3 0 34 428.648 4 ↓

Analogs

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Popular Name: dimethyl-(m-tolyl)-(piperonylthio)BLAHone dimethyl-(m-tolyl)-(piperonylthi…

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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) 6.64 -0.74 -12.99 0 5 0 53 508.69 4 ↓

Analogs

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Popular Name: [[2-(4-chlorophenyl)-2-keto-ethyl]thio]-dimethyl-phenyl-BLAHone [[2-(4-chlorophenyl)-2-keto-ethy…

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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) 6.34 -0.29 -12.32 0 4 0 51 513.109 5 ↓

Analogs

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Popular Name: (2,4-dichlorophenyl)BLAHone (2,4-dichlorophenyl)BLAHone

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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) 4.85 9.5 -8.97 1 3 0 46 369.298 1 ↓
Hi High (pH 8-9.5) 5.30 7.84 -41.98 0 3 -1 49 368.29 1 ↓

Analogs

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Popular Name: [4-(4-hydroxyphenyl)phenyl]BLAHone [4-(4-hydroxyphenyl)phenyl]BLAHone

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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) 4.88 8.62 -11.55 2 4 0 66 392.505 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)methylBLAHone (4-chlorophenyl)methylBLAHone

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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) 4.19 9.34 -12.12 1 3 0 46 348.88 2 ↓

Analogs

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Popular Name: (3,4-dimethoxyphenyl)methylBLAHone (3,4-dimethoxyphenyl)methylBLAHone

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 8.02 -15.69 1 5 0 64 374.487 4 ↓

Analogs

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Popular Name: (4-bromophenyl)methylBLAHone (4-bromophenyl)methylBLAHone

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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) 4.32 9.45 -12.14 1 3 0 46 393.331 2 ↓

Analogs

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Popular Name: (4-nitrophenyl)BLAHone (4-nitrophenyl)BLAHone

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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) 3.52 8.76 -11.43 1 6 0 92 345.405 2 ↓
Hi High (pH 8-9.5) 3.98 7.1 -39.87 0 6 -1 95 344.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)BLAHone (4-chlorophenyl)BLAHone

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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) 4.24 8.58 -8.29 1 3 0 46 334.853 1 ↓
Hi High (pH 8-9.5) 4.70 6.91 -42.73 0 3 -1 49 333.845 1 ↓

Analogs

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Popular Name: [3-(trifluoromethyl)phenyl]BLAHone [3-(trifluoromethyl)phenyl]BLAHone

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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) 4.43 9.04 -10.5 1 3 0 46 368.405 2 ↓

Analogs

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Popular Name: p-tolylBLAHone p-tolylBLAHone

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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) 4.01 8.73 -8.63 1 3 0 46 314.435 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)BLAHone (3-chlorophenyl)BLAHone

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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) 4.22 8.58 -8.35 1 3 0 46 334.853 1 ↓
Hi High (pH 8-9.5) 4.67 6.9 -43.99 0 3 -1 49 333.845 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)BLAHone (4-bromophenyl)BLAHone

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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 8.68 -8.14 1 3 0 46 379.304 1 ↓
Hi High (pH 8-9.5) 4.83 7.01 -42.63 0 3 -1 49 378.296 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-hydroxy-3-methoxy-phenyl)BLAHone (4-hydroxy-3-methoxy-phenyl)BLAHone

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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) 2.90 5.21 -11.11 2 5 0 75 346.433 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxy-4-propoxy-phenyl)BLAHone (3-methoxy-4-propoxy-phenyl)BLAHone

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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) 4.09 8.99 -11.01 1 5 0 64 388.514 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-isopropoxy-3-methoxy-phenyl)BLAHone (4-isopropoxy-3-methoxy-phenyl)B…

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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) 3.95 8.8 -11.07 1 5 0 64 388.514 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethoxyphenyl)BLAHone (3,4-dimethoxyphenyl)BLAHone

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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) 3.21 7.27 -11.46 1 5 0 64 360.46 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-ethylphenyl)BLAHone (4-ethylphenyl)BLAHone

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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) 4.48 9.5 -8.39 1 3 0 46 328.462 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-fluoro-3-methyl-phenyl)BLAHone (4-fluoro-3-methyl-phenyl)BLAHone

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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) 4.10 8.76 -8.5 1 3 0 46 332.425 1 ↓
Hi High (pH 8-9.5) 4.56 7.09 -42.87 0 3 -1 49 331.417 1 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)-N-phenethyl-acetamide 2-(oxoBLAHyl)-N-phenethyl-acetamide

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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) 2.64 8.49 -20.04 2 5 0 75 385.514 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methylthiazol-2-yl)methylBLAHone (4-methylthiazol-2-yl)methylBLAHone

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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) 2.40 6.56 -13.01 1 4 0 59 335.479 2 ↓
Hi High (pH 8-9.5) 2.86 4.36 -48.35 0 4 -1 62 334.471 2 ↓

Analogs

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Popular Name: (6-pyrazol-1-yl-3-pyridyl)BLAHone (6-pyrazol-1-yl-3-pyridyl)BLAHone

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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) 2.98 8.54 -11.56 1 6 0 76 367.459 2 ↓
Hi High (pH 8-9.5) 3.44 6.85 -44.53 0 6 -1 80 366.451 2 ↓

Analogs

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Popular Name: N-[4-(oxoBLAHyl)phenyl]acetamide N-[4-(oxoBLAHyl)phenyl]acetamide

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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) 2.78 6.97 -15.25 2 5 0 75 357.46 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)methylBLAHone (2-fluorophenyl)methylBLAHone

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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) 3.63 8.86 -11.46 1 3 0 46 332.425 2 ↓

Analogs

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Popular Name: 2-thienylmethylBLAHone 2-thienylmethylBLAHone

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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) 3.41 7.95 -11.36 1 3 0 46 320.464 2 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-(oxoBLAHyl)acetamide N-(3-methoxyphenyl)-2-(oxoBLAHyl…

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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 6.88 -19.93 2 6 0 84 387.486 4 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)-N-(p-tolyl)acetamide 2-(oxoBLAHyl)-N-(p-tolyl)acetamide

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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) 2.98 8.26 -19.49 2 5 0 75 371.487 3 ↓

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-(oxoBLAHyl)acetamide N-(2,6-dimethylphenyl)-2-(oxoBLA…

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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) 2.40 9.12 -18.78 2 5 0 75 385.514 3 ↓

Analogs

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Popular Name: N-(m-tolyl)-2-(oxoBLAHyl)acetamide N-(m-tolyl)-2-(oxoBLAHyl)acetamide

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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) 2.96 8.26 -19.39 2 5 0 75 371.487 3 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)-N-(2,4,6-trimethylphenyl)acetamide 2-(oxoBLAHyl)-N-(2,4,6-trimethyl…

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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) 2.80 9.89 -18.86 2 5 0 75 399.541 3 ↓

Analogs

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Popular Name: (3-hydroxyphenyl)BLAHone (3-hydroxyphenyl)BLAHone

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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) 3.06 5.2 -10.65 2 4 0 66 316.407 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)BLAHone (3-methoxyphenyl)BLAHone

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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) 3.60 7.35 -10.38 1 4 0 55 330.434 2 ↓

Analogs

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Popular Name: [2-(m-tolyl)-2-oxo-ethyl]BLAHone [2-(m-tolyl)-2-oxo-ethyl]BLAHone

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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) 3.30 9.83 -17.73 1 4 0 63 356.472 3 ↓

Analogs

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Popular Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl]BLAHone [2-(4-tert-butylphenyl)-2-oxo-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) 4.58 11.49 -17.24 1 4 0 63 398.553 4 ↓

Analogs

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Popular Name: (3-fluorophenyl)BLAHone (3-fluorophenyl)BLAHone

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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) 3.70 8.12 -8.78 1 3 0 46 318.398 1 ↓
Hi High (pH 8-9.5) 4.16 6.46 -44.06 0 3 -1 49 317.39 1 ↓

Analogs

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Popular Name: N-hexyl-2-(oxoBLAHyl)acetamide N-hexyl-2-(oxoBLAHyl)acetamide

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 7.81 -17.89 2 5 0 75 365.524 7 ↓

Analogs

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Popular Name: (6-chloro-3-pyridyl)BLAHone (6-chloro-3-pyridyl)BLAHone

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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) 3.51 6.69 -9.25 1 4 0 59 335.841 1 ↓
Hi High (pH 8-9.5) 3.97 5 -40.19 0 4 -1 62 334.833 1 ↓

Parameters Provided:

ring.id = 152130
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 = 152130 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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