UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28003329
28003329

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Popular Name: 2-[(1R)-1-(2,3-dihydrobenzofuran-5-ylamino)ethyl]-5-methyl-phenol 2-[(1R)-1-(2,3-dihydrobenzofuran…

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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) 4.14 5.61 -6.7 2 3 0 41 269.344 3 ↓

Analogs

28003329
28003329

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Popular Name: 2-[(1S)-1-(2,3-dihydrobenzofuran-5-ylamino)ethyl]-5-methyl-phenol 2-[(1S)-1-(2,3-dihydrobenzofuran…

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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) 4.14 5.62 -7.16 2 3 0 41 269.344 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(2,4,5-trimethylphenyl…

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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) 4.98 9.44 -5.5 1 2 0 21 281.399 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(2,4,5-trimethylphenyl…

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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) 4.98 9.4 -5.54 1 2 0 21 281.399 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)butyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(4-chlorophenyl)butyl]…

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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 9.29 -5.42 1 2 0 21 301.817 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)butyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(4-chlorophenyl)butyl]…

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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 9.96 -5.79 1 2 0 21 301.817 5 ↓

Analogs

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Popular Name: 2-[(2,3-dihydrobenzofuran-5-ylamino)methyl]-4-methoxy-phenol 2-[(2,3-dihydrobenzofuran-5-ylam…

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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) 3.19 3.39 -7.61 2 4 0 51 271.316 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-(2,3-dihydrobenzofuran-5-ylamino)ethyl]-5-methoxy-phenol 2-[(1S)-1-(2,3-dihydrobenzofuran…

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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) 3.75 4.24 -8.69 2 4 0 51 285.343 4 ↓

Analogs

19952988
19952988
19879572
19879572

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(2,3-dihydrobenzofuran-5-ylamino)ethyl]-5-methoxy-phenol 2-[(1R)-1-(2,3-dihydrobenzofuran…

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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) 3.75 4.23 -8.19 2 4 0 51 285.343 4 ↓

Analogs

12943276
12943276

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Popular Name: N-[(1S)-1-(3-nitrophenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(3-nitrophenyl)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) 3.71 8.38 -10.43 1 5 0 67 284.315 4 ↓

Analogs

12943276
12943276

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Popular Name: N-[(1R)-1-(3-nitrophenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(3-nitrophenyl)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) 3.71 8.38 -10.39 1 5 0 67 284.315 4 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(3-nitrophenyl)methyl]-2,3-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) 3.15 7.65 -10.43 1 5 0 67 270.288 4 ↓

Analogs

12943276
12943276

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Popular Name: N-[(4-nitrophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-nitrophenyl)methyl]-2,3-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) 3.18 7.65 -9.86 1 5 0 67 270.288 4 ↓

Analogs

12943276
12943276

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Popular Name: N-[(2-nitrophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2-nitrophenyl)methyl]-2,3-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) 3.13 7.66 -10.94 1 5 0 67 270.288 4 ↓

Analogs

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Popular Name: N-[(4-allyloxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-allyloxyphenyl)methyl]-2,3…

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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) 3.92 7.75 -6.35 1 3 0 30 281.355 6 ↓

Analogs

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Popular Name: N-[(4-propoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-propoxyphenyl)methyl]-2,3-…

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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) 4.15 7.96 -5.98 1 3 0 30 283.371 6 ↓

Analogs

19738267
19738267
19737829
19737829

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Popular Name: N-[(2-prop-2-ynoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2-prop-2-ynoxyphenyl)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) 3.39 7.75 -7.93 1 3 0 30 279.339 5 ↓

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-methylsulfanylphenyl)methy…

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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) 3.65 7.96 -6.04 1 2 0 21 271.385 4 ↓

Analogs

32787488
32787488

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Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(3-chloro-4-fluoro-phe…

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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) 4.55 8.24 -6.96 1 2 0 21 291.753 3 ↓

Analogs

32787488
32787488

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Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(3-chloro-4-fluoro-phe…

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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) 4.55 8.24 -6.93 1 2 0 21 291.753 3 ↓

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2,5-difluorophenyl)methyl]-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) 3.47 7.04 -5.87 1 2 0 21 261.271 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-nitrophenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(4-nitrophenyl)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) 3.74 8.39 -10.03 1 5 0 67 284.315 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-nitrophenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(4-nitrophenyl)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) 3.74 8.39 -9.99 1 5 0 67 284.315 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-ethylphenyl)propyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(4-ethylphenyl)propyl]…

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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) 5.20 10.16 -5.22 1 2 0 21 281.399 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-ethylphenyl)propyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(4-ethylphenyl)propyl]…

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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) 5.20 9.47 -4.85 1 2 0 21 281.399 5 ↓

Analogs

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Popular Name: N-[(1S)-1-phenylbutyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-phenylbutyl]-2,3-dihyd…

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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) 4.84 8.77 -4.92 1 2 0 21 267.372 5 ↓

Analogs

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Popular Name: N-[(1R)-1-phenylbutyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-phenylbutyl]-2,3-dihyd…

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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) 4.84 9.44 -5.28 1 2 0 21 267.372 5 ↓

Analogs

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Popular Name: N-[(2,3-dichlorophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2,3-dichlorophenyl)methyl]-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) 4.48 7.85 -6.51 1 2 0 21 294.181 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-bromophenyl)propyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(4-bromophenyl)propyl]…

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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) 5.09 8.65 -5.36 1 2 0 21 332.241 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-bromophenyl)propyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(4-bromophenyl)propyl]…

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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) 5.09 9.29 -5.83 1 2 0 21 332.241 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(2,5-dimethylphenyl)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) 4.60 8.9 -5.39 1 2 0 21 267.372 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(2,5-dimethylphenyl)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) 4.60 8.86 -5.37 1 2 0 21 267.372 3 ↓

Analogs

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Popular Name: N-[(2,4-dimethylphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2,4-dimethylphenyl)methyl]-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) 4.04 8.33 -4.84 1 2 0 21 253.345 3 ↓

Analogs

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Popular Name: N-[(4-tert-butylphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-tert-butylphenyl)methyl]-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) 4.93 9.26 -4.66 1 2 0 21 281.399 4 ↓

Analogs

31343445
31343445

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Popular Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(5-bromo-2-fluoro-phenyl)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) 4.12 7.58 -5.37 1 2 0 21 322.177 3 ↓

Analogs

32787449
32787449
31343413
31343413

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Popular Name: 4-[(2,3-dihydrobenzofuran-5-ylamino)methyl]phenol 4-[(2,3-dihydrobenzofuran-5-ylam…

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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) 2.74 4.09 -6.76 2 3 0 41 241.29 3 ↓

Analogs

32787449
32787449
31343413
31343413

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-dimethylaminophenyl)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) 3.32 7.35 -5.8 1 3 0 24 268.36 4 ↓

Analogs

31343445
31343445

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Popular Name: N-[(4-bromophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-bromophenyl)methyl]-2,3-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) 4.03 7.56 -5.24 1 2 0 21 304.187 3 ↓

Analogs

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Popular Name: 4-[(2,3-dihydrobenzofuran-5-ylamino)methyl]-2-methoxy-phenol 4-[(2,3-dihydrobenzofuran-5-ylam…

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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) 2.56 4.07 -8.43 2 4 0 51 271.316 4 ↓

Analogs

27133855
27133855
32787449
32787449

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Popular Name: N-[(4-fluorophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-fluorophenyl)methyl]-2,3-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) 3.38 7.01 -5.92 1 2 0 21 243.281 3 ↓

Analogs

31343445
31343445
31343626
31343626

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Popular Name: N-[(3-bromophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(3-bromophenyl)methyl]-2,3-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) 4.00 7.55 -5.42 1 2 0 21 304.187 3 ↓

Analogs

28003329
28003329

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(3,4-dimethoxyphenyl)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) 2.87 6.14 -8.81 1 4 0 40 285.343 5 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-methoxyphenyl)methyl]-2,3-…

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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) 3.28 6.24 -6.4 1 3 0 30 255.317 4 ↓

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2,4-dimethoxyphenyl)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) 3.26 5.57 -7.43 1 4 0 40 285.343 5 ↓

Analogs

27133855
27133855

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2,4-difluorophenyl)methyl]-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) 3.47 7.04 -6.44 1 2 0 21 261.271 3 ↓

Analogs

43479450
43479450

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Popular Name: N-[(3,4-dichlorophenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(3,4-dichlorophenyl)methyl]-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) 4.50 7.91 -6.17 1 2 0 21 294.181 3 ↓

Analogs

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Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydrobenzofuran-5-amine N-[[4-(difluoromethoxy)phenyl]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) 3.83 6.52 -8.03 1 3 0 30 291.297 5 ↓

Analogs

12945069
12945069

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Popular Name: N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydrobenzofuran-5-amine N-[[3-(trifluoromethyl)phenyl]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) 4.09 7.93 -6.34 1 2 0 21 293.288 4 ↓

Analogs

19738267
19738267
19737829
19737829
19738292
19738292
12945065
12945065
32787449
32787449

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Popular Name: N-[(2-ethoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(2-ethoxyphenyl)methyl]-2,3-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) 3.60 7.2 -6.2 1 3 0 30 269.344 5 ↓

Analogs

32787449
32787449
31343413
31343413

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Popular Name: N-[(4-ethoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(4-ethoxyphenyl)methyl]-2,3-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) 3.65 7.16 -6.24 1 3 0 30 269.344 5 ↓

Parameters Provided:

ring.id = 148709
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 = 148709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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