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Analogs

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Popular Name: benzenemethanamine, 4-fluoro-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 4-fluoro-N-[…

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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) 5.10 10.2 -8.29 1 3 0 30 337.394 8 ↓

Analogs

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Popular Name: benzenemethanamine, 2-chloro-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 2-chloro-N-[…

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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) 5.56 10.54 -8.1 1 3 0 30 353.849 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenemethanamine, 4-chloro-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 4-chloro-N-[…

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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 10.65 -7.65 1 3 0 30 353.849 8 ↓

Analogs

43393373
43393373

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Popular Name: benzenemethanamine, 3-methyl-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 3-methyl-N-[…

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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 10.79 -7.45 1 3 0 30 333.431 8 ↓

Analogs

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Popular Name: benzenemethanamine, N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, N-[4-(2-phen…

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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 10.13 -7.43 1 3 0 30 319.404 8 ↓

Analogs

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Popular Name: benzenemethanamine, 4-methoxy-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 4-methoxy-N-…

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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 9.43 -8.8 1 4 0 40 349.43 9 ↓

Analogs

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Popular Name: benzenemethanamine, 4-(1,1-dimethylethyl)-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 4-(1,1-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) 6.64 12.45 -7.06 1 3 0 30 375.512 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenemethanamine, 2-methoxy-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 2-methoxy-N-…

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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 9.47 -8.84 1 4 0 40 349.43 9 ↓

Analogs

43479463
43479463

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Popular Name: benzenemethanamine, 3-chloro-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 3-chloro-N-[…

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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 10.64 -7.88 1 3 0 30 353.849 8 ↓

Analogs

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Popular Name: benzenemethanamine, 4-ethoxy-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 4-ethoxy-N-[…

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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) 5.37 10.35 -8.61 1 4 0 40 363.457 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenemethanamine, 2-fluoro-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 2-fluoro-N-[…

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Activity (Go SEA)

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) 5.05 10.16 -8.9 1 3 0 30 337.394 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzenemethanamine, 3-ethoxy-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 3-ethoxy-N-[…

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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 -8.78 1 4 0 40 363.457 10 ↓

Analogs

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Popular Name: benzenemethanamine, 4-(1-methylethyl)-N-[4-(2-phenoxyethoxy)phenyl]- benzenemethanamine, 4-(1-methyle…

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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) 6.44 12.06 -7.13 1 3 0 30 361.485 9 ↓

Parameters Provided:

ring.id = 484573
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 = 484573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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