UCSF
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Analogs

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Popular Name: (6S)-6-[[5-(3-fluoro-4-pyridyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (6S)-6-[[5-(3-fluoro-4-pyridyl)-…

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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 6.14 -19.95 0 9 0 108 371.328 5 ↓
Mid Mid (pH 6-8) 1.70 7.25 -42.75 1 9 1 109 372.336 5 ↓

Analogs

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Popular Name: (6S)-6-[[5-(6-fluoro-3-pyridyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (6S)-6-[[5-(6-fluoro-3-pyridyl)-…

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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) 2.11 5.86 -21.24 0 9 0 108 371.328 5 ↓
Mid Mid (pH 6-8) 2.11 6.97 -43.98 1 9 1 109 372.336 5 ↓

Analogs

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Popular Name: (6S)-6-[[5-(5-fluoro-3-pyridyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (6S)-6-[[5-(5-fluoro-3-pyridyl)-…

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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) 1.92 5.96 -19.54 0 9 0 108 371.328 5 ↓
Mid Mid (pH 6-8) 1.92 7.08 -42.31 1 9 1 109 372.336 5 ↓

Analogs

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Popular Name: (6S)-6-[[5-(6-methoxy-3-pyridyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin (6S)-6-[[5-(6-methoxy-3-pyridyl)…

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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) 2.00 4.4 -20.26 0 10 0 117 383.364 6 ↓
Mid Mid (pH 6-8) 2.00 5.51 -42.71 1 10 1 118 384.372 6 ↓

Analogs

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Popular Name: (6S)-6-[[5-(3-fluoro-4-methoxy-phenyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3] (6S)-6-[[5-(3-fluoro-4-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) 2.83 7.05 -21.11 0 9 0 104 400.366 6 ↓
Mid Mid (pH 6-8) 2.83 8.16 -43.23 1 9 1 105 401.374 6 ↓

Analogs

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Popular Name: (6S)-6-[[6-[4-chloro-3-(trifluoromethoxy)phenyl]-3-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2 (6S)-6-[[6-[4-chloro-3-(trifluor…

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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) 4.11 8.13 -22.18 0 9 0 104 470.791 7 ↓
Mid Mid (pH 6-8) 4.11 9.24 -44.78 1 9 1 105 471.799 7 ↓

Parameters Provided:

ring.id = 285359
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 = 285359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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