UCSF
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Analogs

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Popular Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine 1-[(5-methoxy-2-methyl-3-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) 6.43 13.33 -8.52 0 4 0 29 480.53 6 ↓

Analogs

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Popular Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-phenyl-piperazine 1-[(5-methoxy-2-methyl-3-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) 5.56 12.47 -7.8 0 4 0 29 412.533 5 ↓

Analogs

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Popular Name: 1-(2,3-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazine 1-(2,3-dimethylphenyl)-4-[(5-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) 6.36 14.34 -7.03 0 4 0 29 440.587 5 ↓
Mid Mid (pH 6-8) 6.36 14.35 -32.69 1 4 1 30 441.595 5 ↓

Analogs

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Popular Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(p-tolyl)piperazine 1-[(5-methoxy-2-methyl-3-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) 6.01 12.97 -7.61 0 4 0 29 426.56 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazine 1-(2,5-dimethylphenyl)-4-[(5-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) 6.39 14.43 -6.84 0 4 0 29 440.587 5 ↓
Mid Mid (pH 6-8) 6.39 14.3 -33.19 1 4 1 30 441.595 5 ↓

Parameters Provided:

ring.id = 412961
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 = 412961 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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