UCSF
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Analogs

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Popular Name: dioxo-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]BLAHcarboxamide dioxo-[2-oxo-2-[[(1S)-1-phenylet…

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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) 0.45 4.68 -51.11 4 10 1 143 427.466 5 ↓
Hi High (pH 8-9.5) 0.65 3.04 -59.01 2 10 -1 145 425.45 5 ↓
Mid Mid (pH 6-8) 0.45 4.17 -28.35 3 10 0 141 426.458 5 ↓

Analogs

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Popular Name: dioxo-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]BLAHcarboxamide dioxo-[2-oxo-2-[[(1R)-1-phenylet…

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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) 0.45 4.69 -52.08 4 10 1 143 427.466 5 ↓
Hi High (pH 8-9.5) 0.65 3.04 -60.78 2 10 -1 145 425.45 5 ↓
Mid Mid (pH 6-8) 0.45 4.18 -29.53 3 10 0 141 426.458 5 ↓

Analogs

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Popular Name: dioxo-[2-oxo-2-(p-tolylmethylamino)ethyl]BLAHcarboxamide dioxo-[2-oxo-2-(p-tolylmethylami…

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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) 0.34 4.52 -51.02 4 10 1 143 427.466 5 ↓
Hi High (pH 8-9.5) 0.54 2.88 -59.66 2 10 -1 145 425.45 5 ↓
Mid Mid (pH 6-8) 0.34 4 -28.51 3 10 0 141 426.458 5 ↓

Analogs

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Popular Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]-dioxo-BLAHcarboxamide [2-[(2-fluorophenyl)methylamino]…

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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) 0.01 3.86 -49.92 4 10 1 143 431.429 5 ↓
Hi High (pH 8-9.5) 0.21 2.23 -58.62 2 10 -1 145 429.413 5 ↓
Mid Mid (pH 6-8) 0.01 3.34 -28 3 10 0 141 430.421 5 ↓

Parameters Provided:

ring.id = 432264
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 = 432264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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