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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)-2-(1,3-benzoxazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine (1R)-2-(1,3-benzoxazol-2-yl)-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) 1.70 4.08 -44.01 3 4 1 63 283.351 4 ↓
Hi High (pH 8-9.5) 1.70 3.76 -9.28 2 4 0 61 282.343 4 ↓

Analogs

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Popular Name: (1S)-2-(1,3-benzoxazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)ethanamine (1S)-2-(1,3-benzoxazol-2-yl)-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) 1.70 4.29 -40.38 3 4 1 63 283.351 4 ↓
Hi High (pH 8-9.5) 1.70 3.78 -9.27 2 4 0 61 282.343 4 ↓

Analogs

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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) 3.31 6.78 -11.67 1 6 0 81 352.39 7 ↓

Analogs

539780
539780
6581782
6581782
6582660
6582660
6584327
6584327
34939384
34939384

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Popular Name: (1R)-2-(1,3-benzoxazol-2-yl)-1-phenyl-ethanol (1R)-2-(1,3-benzoxazol-2-yl)-1-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) 2.96 -2.96 -10.09 1 3 0 46 239.274 3 ↓

Analogs

6581782
6581782
6582660
6582660
6584327
6584327
34939384
34939384
34939385
34939385

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Popular Name: (1S)-2-(1,3-benzoxazol-2-yl)-1-phenyl-ethanol (1S)-2-(1,3-benzoxazol-2-yl)-1-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) 2.96 -2.95 -9.64 1 3 0 46 239.274 3 ↓

Analogs

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Popular Name: (1R)-2-(1,3-benzoxazol-2-yl)-1-(5-fluoro-2-methyl-phenyl)ethanamine (1R)-2-(1,3-benzoxazol-2-yl)-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) 1.80 4.59 -46.07 3 3 1 54 271.315 3 ↓
Hi High (pH 8-9.5) 1.80 4.25 -8.33 2 3 0 52 270.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(1,3-benzoxazol-2-yl)-1-(5-fluoro-2-methyl-phenyl)ethanamine (1S)-2-(1,3-benzoxazol-2-yl)-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) 1.80 4.78 -43.74 3 3 1 54 271.315 3 ↓
Hi High (pH 8-9.5) 1.80 4.42 -7.82 2 3 0 52 270.307 3 ↓

Analogs

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Popular Name: (1S)-2-(1,3-benzoxazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine (1S)-2-(1,3-benzoxazol-2-yl)-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) 1.61 4.41 -55.51 3 3 1 54 293.268 3 ↓
Mid Mid (pH 6-8) 1.61 4.02 -9.32 2 3 0 52 292.26 3 ↓

Analogs

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Popular Name: (1R)-2-(1,3-benzoxazol-2-yl)-1-(3,4,5-trifluorophenyl)ethanamine (1R)-2-(1,3-benzoxazol-2-yl)-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) 1.61 4.22 -58.44 3 3 1 54 293.268 3 ↓
Mid Mid (pH 6-8) 1.61 3.87 -10.93 2 3 0 52 292.26 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-amino-2-(5-fluoro-1,3-benzoxazol-2-yl)ethyl]phenol 4-[(2S)-2-amino-2-(5-fluoro-1,3-…

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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) 0.92 1.28 -47.33 4 4 1 74 273.287 3 ↓
Hi High (pH 8-9.5) 0.92 0.95 -7.9 3 4 0 72 272.279 3 ↓

Analogs

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Popular Name: 4-[(2R)-2-amino-2-(5-fluoro-1,3-benzoxazol-2-yl)ethyl]phenol 4-[(2R)-2-amino-2-(5-fluoro-1,3-…

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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) 0.92 1.28 -47.34 4 4 1 74 273.287 3 ↓
Hi High (pH 8-9.5) 0.92 0.97 -7.52 3 4 0 72 272.279 3 ↓

Analogs

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Popular Name: 6-bromo-2-phenethyl-1,3-benzoxazole 6-bromo-2-phenethyl-1,3-benzoxazole

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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) 4.74 7.32 -5.39 0 2 0 26 302.171 3 ↓

Analogs

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Popular Name: (1S)-2-(1,3-benzoxazol-2-yl)-1-(5-bromo-2-chloro-phenyl)ethanamine (1S)-2-(1,3-benzoxazol-2-yl)-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) 2.68 5.25 -41.82 3 3 1 54 352.639 3 ↓
Hi High (pH 8-9.5) 2.68 4.73 -7.64 2 3 0 52 351.631 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(1,3-benzoxazol-2-yl)-1-(5-bromo-2-chloro-phenyl)ethanamine (1R)-2-(1,3-benzoxazol-2-yl)-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) 2.68 5.08 -45.15 3 3 1 54 352.639 3 ↓
Hi High (pH 8-9.5) 2.68 4.75 -7.17 2 3 0 52 351.631 3 ↓

Parameters Provided:

ring.id = 37004
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 = 37004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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