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Analogs

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Popular Name: 5-acetamido-N-[(4-benzyloxyphenyl)methyl]-2-fluoro-benzamide 5-acetamido-N-[(4-benzyloxypheny…

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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) 3.49 8.9 -17.17 2 5 0 67 392.43 7 ↓

Analogs

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Popular Name: 3-acetamido-N-[(4-benzyloxyphenyl)methyl]-4-fluoro-benzamide 3-acetamido-N-[(4-benzyloxypheny…

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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) 3.49 8.92 -17.23 2 5 0 67 392.43 7 ↓

Analogs

31932074
31932074

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Popular Name: N-[(4-benzyloxyphenyl)methyl]-N-ethyl-3-methanesulfonamido-benzamide N-[(4-benzyloxyphenyl)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) 3.54 9.14 -24.18 1 6 0 76 438.549 9 ↓
Hi High (pH 8-9.5) 3.54 9.2 -55.66 0 6 -1 78 437.541 9 ↓

Analogs

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Popular Name: N-[(4-benzyloxyphenyl)methyl]-N-ethyl-3-(methylsulfamoyl)benzamide N-[(4-benzyloxyphenyl)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) 3.38 8.7 -19.3 1 6 0 76 438.549 9 ↓

Analogs

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Popular Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3,4-dimethoxy-benzamide N-[[4-[(4-fluorophenyl)methoxy]p…

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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) 3.99 9.19 -13.52 1 5 0 57 395.43 8 ↓

Analogs

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Popular Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-benzamide N-[[4-[(4-fluorophenyl)methoxy]p…

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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) 4.38 9.27 -12.94 1 4 0 48 365.404 7 ↓

Analogs

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Popular Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methanesulfonamido-benzamide N-[[4-[(4-fluorophenyl)methoxy]p…

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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) 3.58 6.6 -19.8 2 6 0 85 428.485 8 ↓
Hi High (pH 8-9.5) 3.58 6.66 -43.43 1 6 -1 87 427.477 8 ↓

Analogs

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Popular Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-4-nitro-benzamide N-[[4-[(4-fluorophenyl)methoxy]p…

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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) 4.68 11.26 -12.11 1 6 0 84 394.402 7 ↓

Analogs

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Popular Name: N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxy-benzamide N-[[4-[(4-fluorophenyl)methoxy]p…

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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) 4.90 10.53 -13.52 1 4 0 48 365.404 7 ↓

Analogs

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Popular Name: 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]benzamide 4-fluoro-N-[[4-[(4-fluorophenyl)…

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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) 4.51 10.04 -9.93 1 3 0 38 353.368 6 ↓

Analogs

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Popular Name: 3-acetamido-N-[(R)-(4-benzyloxyphenyl)-cyano-methyl]benzamide 3-acetamido-N-[(R)-(4-benzyloxyp…

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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) 3.34 9.34 -23.09 2 6 0 91 399.45 7 ↓

Analogs

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Popular Name: 3-acetamido-N-[(S)-(4-benzyloxyphenyl)-cyano-methyl]benzamide 3-acetamido-N-[(S)-(4-benzyloxyp…

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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) 3.34 9.33 -23.69 2 6 0 91 399.45 7 ↓

Analogs

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Popular Name: N-[(4-benzyloxyphenyl)methyl]-5-methoxy-2-nitro-benzamide N-[(4-benzyloxyphenyl)methyl]-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) 4.12 10.59 -16.1 1 7 0 93 392.411 8 ↓

Parameters Provided:

ring.id = 63695
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 = 63695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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