UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-nitro-1-[[(2R)-oxiran-2-yl]methyl]imidazole 4-nitro-1-[[(2R)-oxiran-2-yl]met…

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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) -0.09 4.94 -16.94 0 6 0 76 169.14 3 ↓
Lo Low (pH 4.5-6) -0.09 5.39 -42.78 1 6 1 77 170.148 3 ↓

Analogs

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Popular Name: 4-nitro-1-[[(2S)-oxiran-2-yl]methyl]imidazole 4-nitro-1-[[(2S)-oxiran-2-yl]met…

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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) -0.09 4.95 -16.92 0 6 0 76 169.14 3 ↓
Lo Low (pH 4.5-6) -0.09 5.4 -42.83 1 6 1 77 170.148 3 ↓

Analogs

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Popular Name: 1-[[(2R)-oxiran-2-yl]methyl]-2-propyl-imidazole 1-[[(2R)-oxiran-2-yl]methyl]-2-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) 0.99 4.7 -30.77 1 3 1 32 167.232 4 ↓
Mid Mid (pH 6-8) 0.99 4.37 -9.21 0 3 0 30 166.224 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2S)-oxiran-2-yl]methyl]-2-propyl-imidazole 1-[[(2S)-oxiran-2-yl]methyl]-2-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.99 4.83 -30 1 3 1 32 167.232 4 ↓
Mid Mid (pH 6-8) 0.99 4.37 -9.06 0 3 0 30 166.224 4 ↓

Parameters Provided:

ring.id = 46134
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 = 46134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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