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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: (1R,5S)-8-[(4-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(4-propoxyphenyl)meth…

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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) 2.32 7.96 -30.64 3 3 1 40 275.416 5 ↓
Mid Mid (pH 6-8) 2.32 5.78 -42.59 3 3 1 40 275.416 5 ↓
Lo Low (pH 4.5-6) 2.32 7.96 -108.61 4 3 2 41 276.424 5 ↓

Analogs

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Popular Name: (1R,5S)-8-[(3-propoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(3-propoxyphenyl)meth…

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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) 2.29 4.94 -44.08 3 3 1 40 275.416 5 ↓
Lo Low (pH 4.5-6) 2.29 7.12 -105.37 4 3 2 41 276.424 5 ↓

Analogs

36459633
36459633
62614839
62614839
12370853
12370853

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Popular Name: 8-Azoniabicyclo[3.2.1]octane,3-hydroxy-8-methyl-8-(phenylmethyl)-, chloride, endo- (9CI) 8-Azoniabicyclo[3.2.1]octane,3-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) -1.90 7.62 -28.69 1 2 1 20 232.347 2 ↓

Analogs

12403008
12403008

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Popular Name: (1R,5S)-8-(p-tolylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-(p-tolylmethyl)-8-azab…

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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) 2.32 6.21 -32.84 2 2 1 25 232.347 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1S)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(1S)-1-phenylethyl]-8…

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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) 2.44 7.07 -28.41 2 2 1 25 232.347 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(1R)-1-phenylethyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(1R)-1-phenylethyl]-8…

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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) 2.44 7.02 -29.1 2 2 1 25 232.347 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(2-fluorophenyl)methy…

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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) 1.99 6.46 -27.9 2 2 1 25 236.31 2 ↓
Hi High (pH 8-9.5) 1.99 4.28 -4.21 1 2 0 23 235.302 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(4-fluorophenyl)methy…

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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) 2.04 5.61 -38.2 2 2 1 25 236.31 2 ↓

Analogs

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Popular Name: [(1R,5S)-8-(p-tolylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine [(1R,5S)-8-(p-tolylmethyl)-8-aza…

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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) 2.14 7.26 -101.39 4 2 2 32 246.398 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(2-methoxyphenyl)meth…

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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) 1.88 5.88 -26.54 2 3 1 34 248.346 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(4-methoxyphenyl)meth…

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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) 1.93 4.84 -35.98 2 3 1 34 248.346 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(2-chlorophenyl)methy…

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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) 2.51 6.88 -26.94 2 2 1 25 252.765 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(4-chlorophenyl)methy…

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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) 2.55 6.06 -37.18 2 2 1 25 252.765 2 ↓

Analogs

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Popular Name: 2-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]acetic 2-[(1R,5S)-8-benzyl-8-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) 2.59 10.05 -56.34 1 3 0 45 259.349 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(3,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(3,4-dimethoxyphenyl)…

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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 4.73 -39.94 2 4 1 43 278.372 4 ↓

Analogs

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Popular Name: (1R,5S)-8-[(1S)-2-methyl-1-phenyl-propyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1S)-2-methyl-1-pheny…

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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) 2.69 7.17 -40.27 3 2 1 31 259.417 3 ↓
Lo Low (pH 4.5-6) 2.69 8.66 -105.45 4 2 2 32 260.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-8-[(1R)-2-methyl-1-phenyl-propyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(1R)-2-methyl-1-pheny…

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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) 2.69 7.2 -40.41 3 2 1 31 259.417 3 ↓
Lo Low (pH 4.5-6) 2.69 8.67 -105.6 4 2 2 32 260.425 3 ↓

Analogs

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Popular Name: (3R)-3-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-phenyl-propanenitrile (3R)-3-[(1R,5S)-3-amino-8-azabic…

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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) 1.02 5.62 -41.69 3 3 1 55 256.373 3 ↓

Analogs

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Popular Name: (3S)-3-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-phenyl-propanenitrile (3S)-3-[(1R,5S)-3-amino-8-azabic…

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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) 1.02 5.62 -41.43 3 3 1 55 256.373 3 ↓

Analogs

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Popular Name: (1R,5S)-8-[(2-butoxy-3-methoxy-phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (1R,5S)-8-[(2-butoxy-3-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) 3.13 7.49 -33.15 2 4 1 43 320.453 7 ↓

Analogs

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Popular Name: N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]butane-1-sulfonamide N-[(1R,5S)-8-benzyl-8-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) 3.11 8.32 -46.06 2 4 1 51 337.509 7 ↓

Analogs

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Popular Name: 3-[(1S)-1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]ethyl]benzonitrile 3-[(1S)-1-[(1R,5S)-3-amino-8-aza…

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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) 1.67 6.13 -44.34 3 3 1 55 256.373 2 ↓
Lo Low (pH 4.5-6) 1.67 8 -115.64 4 3 2 56 257.381 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]ethyl]benzonitrile 3-[(1R)-1-[(1R,5S)-3-amino-8-aza…

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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) 1.67 5.95 -44.01 3 3 1 55 256.373 2 ↓
Lo Low (pH 4.5-6) 1.67 7.94 -115.53 4 3 2 56 257.381 2 ↓

Analogs

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Popular Name: (1R,5S)-8-[(2,5-dimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-8-[(2,5-dimethylphenyl)m…

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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) 2.21 5.76 -43.65 3 2 1 31 245.39 2 ↓
Hi High (pH 8-9.5) 2.21 7.13 -30.79 3 2 1 30 245.39 2 ↓

Analogs

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Popular Name: (2S)-2-chloro-N-[(1R,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]propanamide (2S)-2-chloro-N-[(1R,5S)-8-[(2,4…

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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) 2.62 7.18 -39.05 2 5 1 52 367.897 6 ↓

Parameters Provided:

ring.id = 35625
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 = 35625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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