UCSF
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Analogs

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Popular Name: (2R)-2-amino-N-[(3S)-1-[2-[[2-(hydroxyamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]-2,6-dioxo-3-piperidyl]- (2R)-2-amino-N-[(3S)-1-[2-[[2-(h…

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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) -2.46 -1.58 -26 6 11 0 171 405.411 8 ↓
Hi High (pH 8-9.5) -2.46 -0.39 -65.74 5 11 -1 174 404.403 8 ↓
Mid Mid (pH 6-8) -2.46 -1.29 -61.32 7 11 1 173 406.419 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2,6-dioxo-1-piperidyl]acetyl]amino]-3-me (2S)-2-[[2-[(3S)-3-[[(2S)-2-amin…

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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) -2.35 4.18 -73.01 4 10 -1 162 431.469 9 ↓
Mid Mid (pH 6-8) -2.35 4.47 -98.09 5 10 0 163 432.477 9 ↓

Analogs

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Popular Name: 2-[[2-[(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2,6-dioxo-1-piperidyl]acetyl]amino]acetic 2-[[2-[(3S)-3-[[(2S)-2-amino-3-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) -2.91 2.03 -55.89 4 10 -1 162 389.388 8 ↓
Mid Mid (pH 6-8) -2.91 2.32 -80.99 5 10 0 163 390.396 8 ↓

Analogs

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Popular Name: (2S)-2-[[2-[(3S)-3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2,6-dioxo-1-piperidyl]acetyl]amino]propa (2S)-2-[[2-[(3S)-3-[[(2S)-2-amin…

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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) -3.12 2.82 -60.81 4 10 -1 162 403.415 8 ↓
Mid Mid (pH 6-8) -3.12 3.13 -88.33 5 10 0 163 404.423 8 ↓

Parameters Provided:

ring.id = 188593
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 = 188593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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