UCSF
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Analogs

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Popular Name: 1-[[(2R)-1-[(4-chlorophenyl)methyl]aziridin-2-yl]methyl]-1,2,4-triazole 1-[[(2R)-1-[(4-chlorophenyl)meth…

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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) 1.42 8.74 -48.09 1 4 1 38 249.725 4 ↓
Hi High (pH 8-9.5) 1.42 5.28 -10.65 0 4 0 34 248.717 4 ↓

Analogs

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Popular Name: 1-[[(2S)-1-[(4-chlorophenyl)methyl]aziridin-2-yl]methyl]-1,2,4-triazole 1-[[(2S)-1-[(4-chlorophenyl)meth…

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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) 1.42 9.06 -50.76 1 4 1 38 249.725 4 ↓
Hi High (pH 8-9.5) 1.42 5.64 -10.88 0 4 0 34 248.717 4 ↓

Analogs

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Popular Name: 1-[[(2R)-1-benzylaziridin-2-yl]methyl]-1,2,4-triazole 1-[[(2R)-1-benzylaziridin-2-yl]m…

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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) 0.74 8.22 -44.19 1 4 1 38 215.28 4 ↓
Hi High (pH 8-9.5) 0.74 4.77 -10.6 0 4 0 34 214.272 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-1-benzylaziridin-2-yl]methyl]-1,2,4-triazole 1-[[(2S)-1-benzylaziridin-2-yl]m…

Find On: PubMed — Wikipedia — Google

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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) 0.74 8.53 -46.15 1 4 1 38 215.28 4 ↓
Hi High (pH 8-9.5) 0.74 5.12 -10.38 0 4 0 34 214.272 4 ↓

Parameters Provided:

ring.id = 466126
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 = 466126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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