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Analogs

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Popular Name: 2-(1-cyclopropylimidazol-2-yl)sulfanylacetic 2-(1-cyclopropylimidazol-2-yl)su…

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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) 0.52 5.45 -49.72 0 4 -1 58 197.239 4 ↓
Lo Low (pH 4.5-6) 0.52 5.89 -46.32 1 4 0 59 198.247 4 ↓

Analogs

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Popular Name: N,N-bis(2-cyanoethyl)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-acetamide N,N-bis(2-cyanoethyl)-2-(1-cyclo…

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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) -0.46 8.9 -20.39 0 6 0 86 303.391 8 ↓
Lo Low (pH 4.5-6) -0.46 9.35 -51.87 1 6 1 87 304.399 8 ↓

Analogs

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Popular Name: 1H-Imidazole-5-carboxylic acid, 1-cyclopropyl-, methyl ester (9CI) 1H-Imidazole-5-carboxylic acid, …

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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) 0.43 5.7 -8.31 0 4 0 44 166.18 3 ↓
Mid Mid (pH 6-8) 0.43 6.19 -36.53 1 4 1 45 167.188 3 ↓

Analogs

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Popular Name: 2-Bromo-1-cyclopropyl-1H-imidazole 2-Bromo-1-cyclopropyl-1H-imidazole

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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) 1.49 5.09 -6.09 0 2 0 18 187.04 1 ↓

Analogs

40049963
40049963

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Popular Name: 2-(2-tert-butoxyethylsulfanyl)-1-cyclopropyl-imidazole 2-(2-tert-butoxyethylsulfanyl)-1…

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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) 2.45 7.62 -7.2 0 3 0 27 240.372 6 ↓
Mid Mid (pH 6-8) 2.45 8.1 -25.67 1 3 1 28 241.38 6 ↓

Parameters Provided:

ring.id = 72972
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 = 72972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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