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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3-chloro-4-fluoro-phenyl)-(3,5-dimethylbenzofuran-2-yl)methanone (3-chloro-4-fluoro-phenyl)-(3,5-…

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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) 5.53 10.45 -5.58 0 2 0 30 302.732 2 ↓

Analogs

35118696
35118696

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Popular Name: (3,5-dimethylbenzofuran-2-yl)-(o-tolyl)methanone (3,5-dimethylbenzofuran-2-yl)-(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) 5.16 10.57 -6.87 0 2 0 30 264.324 2 ↓

Analogs

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Popular Name: (2-bromophenyl)-(3,5-dimethylbenzofuran-2-yl)methanone (2-bromophenyl)-(3,5-dimethylben…

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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) 5.52 10.51 -7.83 0 2 0 30 329.193 2 ↓

Analogs

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Popular Name: (2,6-difluorophenyl)-(3,5-dimethylbenzofuran-2-yl)methanone (2,6-difluorophenyl)-(3,5-dimeth…

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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) 4.99 9.99 -11.59 0 2 0 30 286.277 2 ↓

Analogs

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Popular Name: benzofuran-2-yl-[3-(trifluoromethyl)phenyl]methanone benzofuran-2-yl-[3-(trifluoromet…

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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) 4.83 9.53 -7.36 0 2 0 30 290.24 3 ↓

Analogs

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Popular Name: benzofuran-2-yl-(3-chlorophenyl)methanone benzofuran-2-yl-(3-chlorophenyl)…

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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) 4.61 9.04 -6.81 0 2 0 30 256.688 2 ↓

Analogs

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Popular Name: benzofuran-2-yl-(3-bromophenyl)methanone benzofuran-2-yl-(3-bromophenyl)m…

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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) 4.74 9.16 -6.48 0 2 0 30 301.139 2 ↓

Analogs

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Popular Name: benzofuran-2-yl-(2-methoxyphenyl)methanone benzofuran-2-yl-(2-methoxyphenyl…

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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) 3.97 9.13 -10.48 0 3 0 39 252.269 3 ↓

Analogs

34615580
34615580

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Popular Name: benzofuran-2-yl-(4-tert-butylphenyl)methanone benzofuran-2-yl-(4-tert-butylphe…

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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) 5.66 10.86 -6.58 0 2 0 30 278.351 3 ↓

Analogs

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Popular Name: benzofuran-2-yl-(3,4-dimethoxyphenyl)methanone benzofuran-2-yl-(3,4-dimethoxyph…

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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 7.79 -9.43 0 4 0 49 282.295 4 ↓

Analogs

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Popular Name: benzofuran-2-yl-(2,5-dimethylphenyl)methanone benzofuran-2-yl-(2,5-dimethylphe…

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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) 4.78 9.56 -6.59 0 2 0 30 250.297 2 ↓

Analogs

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Popular Name: benzofuran-2-yl-(2,5-difluorophenyl)methanone benzofuran-2-yl-(2,5-difluorophe…

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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 8.68 -8.05 0 2 0 30 258.223 2 ↓

Analogs

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Popular Name: benzofuran-2-yl-(2,4-dimethylphenyl)methanone benzofuran-2-yl-(2,4-dimethylphe…

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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) 4.78 9.89 -6.94 0 2 0 30 250.297 2 ↓

Analogs

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Popular Name: benzofuran-2-yl-(2,4-dimethoxyphenyl)methanone benzofuran-2-yl-(2,4-dimethoxyph…

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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) 4.00 8.47 -10.42 0 4 0 49 282.295 4 ↓

Analogs

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Popular Name: benzofuran-2-yl-(4-ethoxyphenyl)methanone benzofuran-2-yl-(4-ethoxyphenyl)…

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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) 4.39 8.8 -7.39 0 3 0 39 266.296 4 ↓

Analogs

34615580
34615580

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Popular Name: benzofuran-2-yl-(4-isopropylphenyl)methanone benzofuran-2-yl-(4-isopropylphen…

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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) 5.47 10.47 -6.66 0 2 0 30 264.324 3 ↓

Analogs

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Popular Name: benzofuran-2-yl-(3-fluoro-4-methoxy-phenyl)methanone benzofuran-2-yl-(3-fluoro-4-meth…

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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) 4.11 7.95 -8.48 0 3 0 39 270.259 3 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(3,4-dichlorophenyl)methanone (5-bromobenzofuran-2-yl)-(3,4-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) 6.03 10.14 -4.29 0 2 0 30 370.029 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(3,4-dimethylphenyl)methanone (5-bromobenzofuran-2-yl)-(3,4-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) 5.57 10.49 -6.01 0 2 0 30 329.193 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(3-chlorophenyl)methanone (5-bromobenzofuran-2-yl)-(3-chlo…

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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) 5.40 9.68 -5.01 0 2 0 30 335.584 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(3-bromophenyl)methanone (5-bromobenzofuran-2-yl)-(3-brom…

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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 9.78 -4.99 0 2 0 30 380.035 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(2-methoxyphenyl)methanone (5-bromobenzofuran-2-yl)-(2-meth…

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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) 4.75 9.75 -8.85 0 3 0 39 331.165 3 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(3-methoxyphenyl)methanone (5-bromobenzofuran-2-yl)-(3-meth…

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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) 4.78 8.47 -7.52 0 3 0 39 331.165 3 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(2,5-dimethylphenyl)methanone (5-bromobenzofuran-2-yl)-(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) 5.57 10.18 -5.11 0 2 0 30 329.193 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(2,5-difluorophenyl)methanone (5-bromobenzofuran-2-yl)-(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) 5.00 9.3 -6.56 0 2 0 30 337.119 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(2,4-difluorophenyl)methanone (5-bromobenzofuran-2-yl)-(2,4-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) 5.00 9.29 -6.39 0 2 0 30 337.119 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(2,4-dimethylphenyl)methanone (5-bromobenzofuran-2-yl)-(2,4-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) 5.57 10.51 -5.43 0 2 0 30 329.193 2 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(4-ethoxyphenyl)methanone (5-bromobenzofuran-2-yl)-(4-etho…

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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) 5.18 9.42 -6.05 0 3 0 39 345.192 4 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(4-isopropylphenyl)methanone (5-bromobenzofuran-2-yl)-(4-isop…

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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) 6.25 11.09 -5.23 0 2 0 30 343.22 3 ↓

Analogs

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Popular Name: (5-bromobenzofuran-2-yl)-(3-fluoro-4-methoxy-phenyl)methanone (5-bromobenzofuran-2-yl)-(3-fluo…

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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) 4.89 8.56 -7.9 0 3 0 39 349.155 3 ↓

Analogs

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Popular Name: (3,4-dimethylphenyl)-(3-methylbenzofuran-2-yl)methanone (3,4-dimethylphenyl)-(3-methylbe…

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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) 5.16 10.57 -7.73 0 2 0 30 264.324 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(3-methylbenzofuran-2-yl)methanone (3-chlorophenyl)-(3-methylbenzof…

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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) 4.99 9.75 -6.92 0 2 0 30 270.715 2 ↓

Analogs

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Popular Name: (3-bromophenyl)-(3-methylbenzofuran-2-yl)methanone (3-bromophenyl)-(3-methylbenzofu…

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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) 5.12 9.86 -6.76 0 2 0 30 315.166 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(3-methylbenzofuran-2-yl)methanone (2-fluorophenyl)-(3-methylbenzof…

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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) 4.45 9.32 -10.07 0 2 0 30 254.26 2 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-(3-methylbenzofuran-2-yl)methanone (2-methoxyphenyl)-(3-methylbenzo…

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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) 4.34 9.77 -10.55 0 3 0 39 266.296 3 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-(3-methylbenzofuran-2-yl)methanone (3-methoxyphenyl)-(3-methylbenzo…

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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 8.55 -8.91 0 3 0 39 266.296 3 ↓

Analogs

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Popular Name: (2,5-dimethylphenyl)-(3-methylbenzofuran-2-yl)methanone (2,5-dimethylphenyl)-(3-methylbe…

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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) 5.16 10.27 -6.87 0 2 0 30 264.324 2 ↓

Analogs

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Popular Name: (2,5-difluorophenyl)-(3-methylbenzofuran-2-yl)methanone (2,5-difluorophenyl)-(3-methylbe…

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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) 4.59 9.39 -8.19 0 2 0 30 272.25 2 ↓

Analogs

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Popular Name: (2,4-difluorophenyl)-(3-methylbenzofuran-2-yl)methanone (2,4-difluorophenyl)-(3-methylbe…

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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) 4.59 9.39 -7.28 0 2 0 30 272.25 2 ↓

Analogs

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Popular Name: (2,4-dimethylphenyl)-(3-methylbenzofuran-2-yl)methanone (2,4-dimethylphenyl)-(3-methylbe…

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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) 5.16 10.59 -7.16 0 2 0 30 264.324 2 ↓

Analogs

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Popular Name: (4-ethoxyphenyl)-(3-methylbenzofuran-2-yl)methanone (4-ethoxyphenyl)-(3-methylbenzof…

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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) 4.77 9.5 -7.52 0 3 0 39 280.323 4 ↓

Analogs

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Popular Name: (4-isopropylphenyl)-(3-methylbenzofuran-2-yl)methanone (4-isopropylphenyl)-(3-methylben…

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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) 5.85 11.17 -6.94 0 2 0 30 278.351 3 ↓

Analogs

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Popular Name: (3-fluoro-4-methoxy-phenyl)-(3-methylbenzofuran-2-yl)methanone (3-fluoro-4-methoxy-phenyl)-(3-m…

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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 8.65 -8.89 0 3 0 39 284.286 3 ↓

Analogs

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Popular Name: (6-methoxy-3-methyl-benzofuran-2-yl)-(p-tolyl)methanone (6-methoxy-3-methyl-benzofuran-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) 4.82 9.17 -8.07 0 3 0 39 280.323 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(6-methoxy-3-methyl-benzofuran-2-yl)methanone (3-chlorophenyl)-(6-methoxy-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.02 9.03 -7.84 0 3 0 39 300.741 3 ↓

Analogs

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Popular Name: (3-bromophenyl)-(6-methoxy-3-methyl-benzofuran-2-yl)methanone (3-bromophenyl)-(6-methoxy-3-met…

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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) 5.15 9.13 -7.73 0 3 0 39 345.192 3 ↓

Analogs

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Popular Name: (2-fluorophenyl)-(6-methoxy-3-methyl-benzofuran-2-yl)methanone (2-fluorophenyl)-(6-methoxy-3-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.48 8.6 -10.36 0 3 0 39 284.286 3 ↓

Analogs

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Popular Name: (5-bromo-3-methyl-benzofuran-2-yl)-(p-tolyl)methanone (5-bromo-3-methyl-benzofuran-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) 5.57 10.52 -5.74 0 2 0 30 329.193 2 ↓

Analogs

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Popular Name: (5-bromo-3-methyl-benzofuran-2-yl)-(3,4-dimethylphenyl)methanone (5-bromo-3-methyl-benzofuran-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) 5.94 11.19 -6.01 0 2 0 30 343.22 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-3-methyl-benzofuran-2-yl)-(3-chlorophenyl)methanone (5-bromo-3-methyl-benzofuran-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) 5.77 10.37 -5.59 0 2 0 30 349.611 2 ↓

Parameters Provided:

ring.id = 19593
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 = 19593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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