UCSF
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Analogs

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Popular Name: 6-[(3aS,6aR)-3-(3-morpholinopropyl)-2-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl]pyridine-2-c 6-[(3aS,6aR)-3-(3-morpholinoprop…

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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) 0.69 5.28 -19.61 0 8 0 82 357.414 5 ↓
Mid Mid (pH 6-8) 0.69 7.55 -54.32 1 8 1 83 358.422 5 ↓

Analogs

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Popular Name: 2-[(3aS,6aR)-3-(3-morpholinopropyl)-2-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl]pyridine-4-c 2-[(3aS,6aR)-3-(3-morpholinoprop…

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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) 0.57 5.37 -16.88 0 8 0 82 357.414 5 ↓
Mid Mid (pH 6-8) 0.57 7.64 -53.95 1 8 1 83 358.422 5 ↓

Analogs

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Popular Name: (3aS,6aR)-5-(5-acetyl-2-pyridyl)-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-2-o (3aS,6aR)-5-(5-acetyl-2-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) 0.77 5.48 -19.18 0 8 0 75 374.441 6 ↓
Mid Mid (pH 6-8) 0.77 7.74 -56.29 1 8 1 76 375.449 6 ↓
Lo Low (pH 4.5-6) 0.77 8.15 -99.9 2 8 2 78 376.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(3aS,6aR)-3-(3-morpholinopropyl)-2-oxo-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazol-5-yl]pyridine-3-c 6-[(3aS,6aR)-3-(3-morpholinoprop…

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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) 0.62 5.39 -18.31 0 8 0 82 357.414 5 ↓
Mid Mid (pH 6-8) 0.62 7.66 -55.05 1 8 1 83 358.422 5 ↓

Parameters Provided:

ring.id = 29135
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 = 29135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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