UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)azocane-1-carboxamide N-(2-bromo-4-fluoro-phenyl)azoca…

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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 8.8 -6.06 1 3 0 32 329.213 1 ↓

Analogs

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Popular Name: N-(3-aminophenyl)azocane-1-carboxamide N-(3-aminophenyl)azocane-1-carbo…

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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) 2.66 5.84 -11.93 3 4 0 58 247.342 1 ↓

Analogs

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Popular Name: N-[4-(diallylcarbamoyl)phenyl]azocane-1-carboxamide N-[4-(diallylcarbamoyl)phenyl]az…

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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) 3.86 10.59 -15.67 1 5 0 53 355.482 6 ↓

Analogs

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Popular Name: 2-(azocane-1-carbonylamino)-5-iodo-benzoic 2-(azocane-1-carbonylamino)-5-io…

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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) 4.71 9.97 -44.36 1 5 -1 72 401.224 2 ↓

Analogs

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Popular Name: 2-(azocane-1-carbonylamino)-3-bromo-benzoic 2-(azocane-1-carbonylamino)-3-br…

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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) 4.41 9.41 -50.26 1 5 -1 72 354.224 2 ↓

Analogs

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Popular Name: 4-(azocane-1-carbonylamino)-3-fluoro-benzoic 4-(azocane-1-carbonylamino)-3-fl…

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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) 3.61 8.65 -49.76 1 5 -1 72 293.318 2 ↓

Analogs

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Popular Name: N-(4-ethyl-3-sulfamoyl-phenyl)azocane-1-carboxamide N-(4-ethyl-3-sulfamoyl-phenyl)az…

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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) 3.15 4.35 -20.68 3 6 0 93 339.461 3 ↓

Analogs

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Popular Name: N-(3-chloro-2-methoxy-phenyl)azocane-1-carboxamide N-(3-chloro-2-methoxy-phenyl)azo…

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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) 4.25 8.09 -8.24 1 4 0 42 296.798 2 ↓

Analogs

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Popular Name: N-(4-bromo-2-chloro-6-methyl-phenyl)azocane-1-carboxamide N-(4-bromo-2-chloro-6-methyl-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) 5.40 10.3 -8.5 1 3 0 32 359.695 1 ↓

Analogs

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Popular Name: N-(2-methoxy-4-methyl-phenyl)azocane-1-carboxamide N-(2-methoxy-4-methyl-phenyl)azo…

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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) 4.04 8.08 -9.37 1 4 0 42 276.38 2 ↓

Analogs

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Popular Name: N-(5-chloro-2-methylsulfanyl-phenyl)azocane-1-carboxamide N-(5-chloro-2-methylsulfanyl-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) 4.65 9.63 -9.37 1 3 0 32 312.866 2 ↓

Analogs

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Popular Name: N-(2,3-difluorophenyl)azocane-1-carboxamide N-(2,3-difluorophenyl)azocane-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) 3.84 8.15 -7.31 1 3 0 32 268.307 1 ↓

Analogs

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Popular Name: N-[3-[(1S)-1-hydroxyethyl]phenyl]azocane-1-carboxamide N-[3-[(1S)-1-hydroxyethyl]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) 3.15 6.26 -10.82 2 4 0 53 276.38 2 ↓

Analogs

16638004
16638004
16638007
16638007

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Popular Name: N-[3-[(1R)-1-hydroxyethyl]phenyl]azocane-1-carboxamide N-[3-[(1R)-1-hydroxyethyl]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) 3.15 6.22 -11.64 2 4 0 53 276.38 2 ↓

Analogs

48469198
48469198
5471057
5471057
20515165
20515165

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Popular Name: N-[4-[(1S)-1-hydroxyethyl]phenyl]azocane-1-carboxamide N-[4-[(1S)-1-hydroxyethyl]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) 3.17 6.25 -10.7 2 4 0 53 276.38 2 ↓

Analogs

48469198
48469198
5471057
5471057
20515165
20515165

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1R)-1-hydroxyethyl]phenyl]azocane-1-carboxamide N-[4-[(1R)-1-hydroxyethyl]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) 3.17 6.22 -11.14 2 4 0 53 276.38 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 20479 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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