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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2R)-2-amino-N-cycloheptyl-2-phenyl-propanamide (2R)-2-amino-N-cycloheptyl-2-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) 3.27 5.14 -7.82 3 3 0 55 260.381 3 ↓
Mid Mid (pH 6-8) 3.27 5.38 -51.74 4 3 1 57 261.389 3 ↓

Analogs

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Popular Name: (2S)-2-amino-N-cycloheptyl-2-phenyl-propanamide (2S)-2-amino-N-cycloheptyl-2-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) 3.27 5.14 -6.92 3 3 0 55 260.381 3 ↓
Mid Mid (pH 6-8) 3.27 5.44 -51.77 4 3 1 57 261.389 3 ↓

Analogs

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Popular Name: (2R)-2-amino-N-cycloheptyl-N-methyl-2-phenyl-propanamide (2R)-2-amino-N-cycloheptyl-N-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) 3.51 6.84 -5.86 2 3 0 46 274.408 3 ↓
Mid Mid (pH 6-8) 3.51 6.96 -44.97 3 3 1 48 275.416 3 ↓

Analogs

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Popular Name: (2S)-2-amino-N-cycloheptyl-N-methyl-2-phenyl-propanamide (2S)-2-amino-N-cycloheptyl-N-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) 3.51 6.86 -8.05 2 3 0 46 274.408 3 ↓
Mid Mid (pH 6-8) 3.51 7.2 -48.29 3 3 1 48 275.416 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-cycloheptyl-N-methyl-acetamide 2-(3-aminophenyl)-N-cycloheptyl-…

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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) 2.93 7.14 -9.61 2 3 0 46 260.381 3 ↓

Analogs

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Popular Name: 1-[[2-(3-chlorophenyl)acetyl]amino]cycloheptanecarboxylic 1-[[2-(3-chlorophenyl)acetyl]ami…

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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) 1.62 10 -59.35 1 4 -1 69 308.785 4 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-(1-cyanocycloheptyl)acetamide 2-(3-chlorophenyl)-N-(1-cyanocyc…

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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 7.54 -16.11 1 3 0 53 290.794 3 ↓

Analogs

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Popular Name: N-(1-carbamothioylcycloheptyl)-2-(3-chlorophenyl)acetamide N-(1-carbamothioylcycloheptyl)-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) 3.27 7.75 -16.43 3 3 0 55 324.877 4 ↓

Analogs

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Popular Name: N-(1-cyanocycloheptyl)-2-(3,4-dichlorophenyl)acetamide N-(1-cyanocycloheptyl)-2-(3,4-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) 4.77 7.9 -17.18 1 3 0 53 325.239 3 ↓

Analogs

53137873
53137873
53137877
53137877
53140082
53140082
53140086
53140086
53143044
53143044

Draw Identity 99% 90% 80% 70%

Popular Name: N-cycloheptyl-2-(3,4-dimethylphenyl)acetamide N-cycloheptyl-2-(3,4-dimethylphe…

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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) 4.46 8.6 -8.78 1 2 0 29 259.393 3 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-N-cycloheptyl-2,2-difluoro-acetamide 2-(3-chlorophenyl)-N-cycloheptyl…

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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) 4.72 7.97 -5.74 1 2 0 29 301.764 3 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cycloheptyl-2-phenyl-acetamide N-(3-aminopropyl)-N-cycloheptyl-…

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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) 2.95 8.35 -56.64 3 3 1 48 289.443 6 ↓

Parameters Provided:

ring.id = 30433
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 = 30433 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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