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Analogs

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Popular Name: (2R)-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[5-(trifluoromethyl)-1H-i…

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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) 2.48 3.83 -7.2 2 4 0 50 269.226 2 ↓

Analogs

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Popular Name: (2S)-2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[5-(trifluoromethyl)-1H-i…

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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) 2.48 3.97 -4.57 2 4 0 50 269.226 2 ↓

Analogs

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Popular Name: (2S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(4,5-dimethyl-1H-imidazol…

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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) 1.78 4.5 -28.22 3 4 1 51 230.291 1 ↓
Mid Mid (pH 6-8) 1.78 4.13 -6.61 2 4 0 50 229.283 1 ↓

Analogs

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Popular Name: (2R)-2-(4,5-dimethyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(4,5-dimethyl-1H-imidazol…

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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) 1.78 4.49 -28.24 3 4 1 51 230.291 1 ↓
Mid Mid (pH 6-8) 1.78 4.01 -9.92 2 4 0 50 229.283 1 ↓

Analogs

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Popular Name: (2S)-2-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(4-ethyl-5-propyl-1H-imid…

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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) 3.43 6.72 -27.95 3 4 1 51 272.372 4 ↓
Mid Mid (pH 6-8) 3.43 6.23 -5.91 2 4 0 50 271.364 4 ↓

Analogs

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Popular Name: (2R)-2-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(4-ethyl-5-propyl-1H-imid…

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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) 3.43 6.69 -28.28 3 4 1 51 272.372 4 ↓
Mid Mid (pH 6-8) 3.43 6.1 -9.11 2 4 0 50 271.364 4 ↓

Analogs

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Popular Name: (2S)-2-(5-tert-butyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-tert-butyl-1H-imidazol…

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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 5.74 -28.85 3 4 1 51 258.345 2 ↓
Mid Mid (pH 6-8) 3.29 5.53 -5.88 2 4 0 50 257.337 2 ↓

Analogs

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Popular Name: (2R)-2-(5-tert-butyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-tert-butyl-1H-imidazol…

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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 5.72 -30.23 3 4 1 51 258.345 2 ↓
Mid Mid (pH 6-8) 3.29 5.4 -9.43 2 4 0 50 257.337 2 ↓

Analogs

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Popular Name: (2S)-2-(5-isopropyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-isopropyl-1H-imidazol-…

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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 5.23 -29.19 3 4 1 51 244.318 2 ↓
Mid Mid (pH 6-8) 2.62 4.87 -6.09 2 4 0 50 243.31 2 ↓

Analogs

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Popular Name: (2R)-2-(5-isopropyl-1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-isopropyl-1H-imidazol-…

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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 5.21 -30.36 3 4 1 51 244.318 2 ↓
Mid Mid (pH 6-8) 2.62 4.73 -9.7 2 4 0 50 243.31 2 ↓

Parameters Provided:

ring.id = 122031
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 = 122031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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