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Popular Name: benzenemethanamine, N-(3-methylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3-methylp…

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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) 5.33 10.81 -7.84 1 3 0 30 333.431 8 ↓

Analogs

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Popular Name: benzenemethanamine, 3-(2-phenoxyethoxy)-N-phenyl- benzenemethanamine, 3-(2-phenoxy…

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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) 4.91 10.14 -7.76 1 3 0 30 319.404 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(4-chlorophenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(4-chlorop…

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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) 5.59 10.65 -7.73 1 3 0 30 353.849 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(3,4-dimethylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3,4-dimet…

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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) 5.73 11.37 -8.01 1 3 0 30 347.458 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2,4-dimethylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2,4-dimet…

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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) 5.73 11.6 -7.85 1 3 0 30 347.458 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(4-ethoxyphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(4-ethoxyp…

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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) 5.34 10.35 -9 1 4 0 40 363.457 10 ↓

Analogs

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Popular Name: benzenemethanamine, N-(4-fluorophenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(4-fluorop…

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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) 5.07 10.2 -8.41 1 3 0 30 337.394 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(4-methoxyphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(4-methoxy…

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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) 4.96 9.43 -9.08 1 4 0 40 349.43 9 ↓

Analogs

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Popular Name: benzenemethanamine, 3-(2-phenoxyethoxy)-N-(2,4,6-trimethylphenyl)- benzenemethanamine, 3-(2-phenoxy…

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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) 5.17 12.03 -8.18 1 3 0 30 361.485 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(3,5-dimethylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3,5-dimet…

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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) 5.73 11.47 -8.03 1 3 0 30 347.458 8 ↓

Analogs

32204286
32204286

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Popular Name: benzenemethanamine, N-(3-chloro-2-methylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3-chloro-…

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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 11.36 -7.89 1 3 0 30 367.876 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(4-methylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(4-methylp…

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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) 5.36 10.82 -7.79 1 3 0 30 333.431 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(3-methoxyphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3-methoxy…

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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) 4.94 9.44 -9.38 1 4 0 40 349.43 9 ↓

Analogs

32204298
32204298

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Popular Name: benzenemethanamine, N-(3-chloro-4-methylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3-chloro-…

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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) 5.96 11.24 -7.96 1 3 0 30 367.876 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2,3-dimethylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2,3-dimet…

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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) 5.71 11.49 -8.03 1 3 0 30 347.458 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2-methoxyphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2-methoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.92 9.55 -9.14 1 4 0 40 349.43 9 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2-ethoxyphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2-ethoxyp…

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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) 5.29 10.48 -8.94 1 4 0 40 363.457 10 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2-fluorophenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2-fluorop…

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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 10.24 -9.09 1 3 0 30 337.394 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2,6-dimethylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2,6-dimet…

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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 11.39 -8.02 1 3 0 30 347.458 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-(2-ethyl-6-methylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(2-ethyl-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) 5.24 12.53 -7.07 1 3 0 30 361.485 9 ↓

Analogs

32204289
32204289

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Popular Name: benzenemethanamine, N-(5-chloro-2-methylphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(5-chloro-…

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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) 5.96 11.44 -7.89 1 3 0 30 367.876 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-[2-(1-methylethyl)phenyl]-3-(2-phenoxyethoxy)- benzenemethanamine, N-[2-(1-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) 5.90 12.18 -7.48 1 3 0 30 361.485 9 ↓

Analogs

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Popular Name: benzenemethanamine, N-(3-ethoxyphenyl)-3-(2-phenoxyethoxy)- benzenemethanamine, N-(3-ethoxyp…

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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) 5.32 10.37 -9.21 1 4 0 40 363.457 10 ↓

Parameters Provided:

ring.id = 481418
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 = 481418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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