UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-amino-N-cyclobutyl-2-phenyl-propanamide (2R)-2-amino-N-cyclobutyl-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) 1.52 3.42 -6.92 3 3 0 55 218.3 3 ↓
Mid Mid (pH 6-8) 1.52 3.73 -51.53 4 3 1 57 219.308 3 ↓

Analogs

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Popular Name: (2S)-2-amino-N-cyclobutyl-2-phenyl-propanamide (2S)-2-amino-N-cyclobutyl-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) 1.52 3.49 -8.05 3 3 0 55 218.3 3 ↓
Mid Mid (pH 6-8) 1.52 3.73 -51.45 4 3 1 57 219.308 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-cyclobutyl-acetamide 2-(3-aminophenyl)-N-cyclobutyl-a…

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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) 0.94 3.59 -9.5 3 3 0 55 204.273 3 ↓

Analogs

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Popular Name: N-(3-aminocyclobutyl)-2-(3-chlorophenyl)acetamide N-(3-aminocyclobutyl)-2-(3-chlor…

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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) 1.13 3.53 -53.78 4 3 1 57 239.726 3 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-2-(3-isopropoxyphenyl)-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(3-isopr…

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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) 2.75 8.29 -17.91 0 4 0 53 286.375 5 ↓

Analogs

53138629
53138629
53138633
53138633
53138637
53138637
53143028
53143028
53143037
53143037

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Popular Name: N-(1-cyanocyclobutyl)-2-(2,5-dimethylphenyl)-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(2,5-dim…

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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) 2.81 8.6 -16.31 0 3 0 44 256.349 3 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-N-methyl-2-(2-nitrophenyl)acetamide N-(1-cyanocyclobutyl)-N-methyl-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) 1.89 7.83 -19.42 0 6 0 90 273.292 4 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide N-(1-cyanocyclobutyl)-2-[4-(trif…

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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) 2.63 6.79 -16.82 1 3 0 53 282.265 4 ↓

Analogs

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Popular Name: 2-(3-bromo-4-fluoro-phenyl)-N-(1-cyanocyclobutyl)-N-methyl-acetamide 2-(3-bromo-4-fluoro-phenyl)-N-(1…

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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) 2.88 8.1 -17.7 0 3 0 44 325.181 3 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-2-(3-methoxy-4-methyl-phenyl)-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(3-metho…

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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) 2.42 7.49 -18.19 0 4 0 53 272.348 4 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-2-(2-methoxy-5-methyl-phenyl)-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(2-metho…

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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) 2.42 7.43 -17.29 0 4 0 53 272.348 4 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-2-(2,4-dichlorophenyl)-N-methyl-acetamide N-(1-cyanocyclobutyl)-2-(2,4-dic…

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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 8.38 -15.03 0 3 0 44 297.185 3 ↓

Parameters Provided:

ring.id = 30625
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 = 30625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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