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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclopropyl-2-(2-isopropylimidazol-1-yl)ethanone 1-cyclopropyl-2-(2-isopropylimid…

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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) 1.18 7.88 -30.37 1 3 1 36 193.27 4 ↓
Hi High (pH 8-9.5) 1.18 7.29 -12.51 0 3 0 35 192.262 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-imidazol-1-yl-ethanone 1-cyclopropyl-2-imidazol-1-yl-et…

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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) 0.03 6.99 -35.04 1 3 1 36 151.189 3 ↓
Mid Mid (pH 6-8) 0.03 6.47 -12.73 0 3 0 35 150.181 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(2-methylimidazol-1-yl)ethanone 1-cyclopropyl-2-(2-methylimidazo…

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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) 0.12 6.76 -31.81 1 3 1 36 165.216 3 ↓
Hi High (pH 8-9.5) 0.12 6.28 -13.09 0 3 0 35 164.208 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(2-ethylimidazol-1-yl)ethanone 1-cyclopropyl-2-(2-ethylimidazol…

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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 7.3 -31.53 1 3 1 36 179.243 4 ↓
Hi High (pH 8-9.5) 0.69 6.88 -12.73 0 3 0 35 178.235 4 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(4,5-dimethylimidazol-1-yl)ethanone 1-cyclopropyl-2-(4,5-dimethylimi…

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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) 0.48 7.94 -33.5 1 3 1 36 179.243 3 ↓
Hi High (pH 8-9.5) 0.48 7.47 -13.29 0 3 0 35 178.235 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-(2-propylimidazol-1-yl)ethanone 1-cyclopropyl-2-(2-propylimidazo…

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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) 1.20 8.08 -31.62 1 3 1 36 193.27 5 ↓
Hi High (pH 8-9.5) 1.20 7.66 -12.55 0 3 0 35 192.262 5 ↓

Parameters Provided:

ring.id = 245525
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 = 245525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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