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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-2-methyl-aniline 5-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 2.79 6.16 -3.92 2 2 0 29 202.301 1 ↓
Lo Low (pH 4.5-6) 2.79 6.07 -27.7 3 2 1 30 203.309 1 ↓

Analogs

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Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5-nitro-aniline 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 2.30 6.89 -4.94 2 5 0 75 233.271 2 ↓

Analogs

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Popular Name: [2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5-chloro-phenyl]methanamine [2-[(1S,4R)-5-azabicyclo[2.2.1]h…

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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) 2.72 6.76 -45.39 3 2 1 31 237.754 2 ↓
Hi High (pH 8-9.5) 2.72 6.3 -1.41 2 2 0 29 236.746 2 ↓

Analogs

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Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5-chloro-benzenecarbothioamide 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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 7.75 -7.33 2 2 0 29 266.797 2 ↓

Analogs

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Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5-chloro-benzonitrile 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.29 9.01 -4.42 0 2 0 27 232.714 1 ↓

Analogs

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Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-5-chloro-N'-hydroxy-benzamidine 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 1.85 5.29 -5.96 3 4 0 62 265.744 2 ↓

Analogs

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Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-6-chloro-N'-hydroxy-benzamidine 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 1.83 4.73 -5.81 3 4 0 62 265.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-6-chloro-benzenecarbothioamide 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.31 7.74 -9.74 2 2 0 29 266.797 2 ↓

Analogs

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Popular Name: [2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4-chloro-phenyl]methanamine [2-[(1S,4R)-5-azabicyclo[2.2.1]h…

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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) 2.72 6.76 -48.18 3 2 1 31 237.754 2 ↓
Hi High (pH 8-9.5) 2.72 6.3 -2.13 2 2 0 29 236.746 2 ↓

Analogs

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Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4-chloro-benzoic 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.63 9.36 -46.14 0 3 -1 43 250.705 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4-chloro-benzenecarbothioamide 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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 7.79 -8.01 2 2 0 29 266.797 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4-chloro-N'-hydroxy-benzamidine 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 1.85 5.34 -5.42 3 4 0 62 265.744 2 ↓
Lo Low (pH 4.5-6) 1.85 5.26 -34.43 4 4 1 63 266.752 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-4-chloro-benzonitrile 2-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.29 9.02 -4.2 0 2 0 27 232.714 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-3-chloro-phenyl]methanamine [4-[(1S,4R)-5-azabicyclo[2.2.1]h…

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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) 2.72 6.65 -46.4 3 2 1 31 237.754 2 ↓
Hi High (pH 8-9.5) 2.72 6.24 -2.46 2 2 0 29 236.746 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-3-chloro-benzonitrile 4-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.29 9.03 -4 0 2 0 27 232.714 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-3-chloro-N'-hydroxy-benzamidine 4-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 1.85 5.3 -6.87 3 4 0 62 265.744 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-3-chloro-benzenecarbothioamide 4-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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 7.85 -9.37 2 2 0 29 266.797 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-3-chloro-benzoic 4-[(1S,4R)-5-azabicyclo[2.2.1]he…

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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) 3.45 9.18 -45.35 0 3 -1 43 250.705 2 ↓

Analogs

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Popular Name: 4-amino-2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]benzoic 4-amino-2-[(1S,4R)-5-azabicyclo[…

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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) 2.03 6.72 -54.66 2 4 -1 69 231.275 2 ↓
Lo Low (pH 4.5-6) 2.03 5.72 -39.51 3 4 0 71 232.283 2 ↓

Parameters Provided:

ring.id = 6670
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 = 6670 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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