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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-(2-methoxyphenyl)-2-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethanamine (2R)-2-(2-methoxyphenyl)-2-[(1R,…

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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) 3.03 6.17 -42.27 3 3 1 40 303.47 4 ↓
Hi High (pH 8-9.5) 3.03 7.48 -25.87 3 3 1 40 303.47 4 ↓

Analogs

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Popular Name: (2R)-2-(3-methoxyphenyl)-2-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethanamine (2R)-2-(3-methoxyphenyl)-2-[(1R,…

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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) 3.06 5.99 -42.96 3 3 1 40 303.47 4 ↓
Hi High (pH 8-9.5) 3.06 7.23 -33.34 3 3 1 40 303.47 4 ↓

Analogs

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Popular Name: (2R)-2-(4-methoxyphenyl)-2-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethanamine (2R)-2-(4-methoxyphenyl)-2-[(1R,…

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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) 3.08 5.99 -46.26 3 3 1 40 303.47 4 ↓
Hi High (pH 8-9.5) 3.08 7.7 -29.96 3 3 1 40 303.47 4 ↓

Analogs

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Popular Name: 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-N,N-dimethyl-aniline 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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 7.1 -43.43 3 3 1 34 316.513 4 ↓
Hi High (pH 8-9.5) 3.13 8.78 -27.64 3 3 1 34 316.513 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-6-methoxy-phenol 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.57 3.99 -48.47 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.57 5.33 -30.25 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.57 6.2 -37.47 3 4 0 63 318.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-2-methoxy-phenol 4-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.36 3.83 -48.94 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.36 5.07 -37.84 4 4 1 60 319.469 4 ↓

Analogs

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Popular Name: 5-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-2-methoxy-phenol 5-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 2.36 3.83 -46.51 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 2.36 5.07 -37.73 4 4 1 60 319.469 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]ethyl]-5-methoxy-phenol 2-[(1R)-2-amino-1-[(1R,5S)-3,3,5…

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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) 3.00 3.3 -49.95 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 3.00 4.87 -32.53 4 4 1 60 319.469 4 ↓
Hi High (pH 8-9.5) 3.00 5.59 -36.14 3 4 0 63 318.461 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-7-[(3,5-dimethoxyphenyl)methyl]-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane (1R,5S)-7-[(3,5-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) 4.08 8.95 -34.33 1 3 1 23 304.454 4 ↓

Analogs

42465286
42465286
37031958
37031958
37031959
37031959
37031960
37031960
37031961
37031961

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Popular Name: methyl methyl

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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) 4.21 10.99 -42.27 1 3 1 31 302.438 4 ↓

Analogs

37031958
37031958
37031959
37031959
37031960
37031960
37031961
37031961
42465283
42465283

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Popular Name: methyl methyl

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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) 4.21 10.98 -42.8 1 3 1 31 302.438 4 ↓

Parameters Provided:

ring.id = 52368
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 = 52368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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