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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: [6-[(1-ethylimidazol-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanamine [6-[(1-ethylimidazol-2-yl)methox…

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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) 1.13 3.8 -46.95 3 6 1 73 276.316 5 ↓
Hi High (pH 8-9.5) 1.13 3.38 -10.85 2 6 0 72 275.308 5 ↓
Mid Mid (pH 6-8) 1.13 4.49 -102.12 4 6 2 74 277.324 5 ↓

Analogs

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Popular Name: 1-[6-[(1-ethylimidazol-2-yl)methoxy]-1,3-benzodioxol-5-yl]-N-methyl-methanamine 1-[6-[(1-ethylimidazol-2-yl)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) 1.50 5.67 -41.83 2 6 1 62 290.343 6 ↓
Mid Mid (pH 6-8) 1.50 6.37 -96.46 3 6 2 63 291.351 6 ↓

Analogs

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Popular Name: 6-[(1-ethylimidazol-2-yl)methoxy]-1,3-benzodioxole-5-carboxylic 6-[(1-ethylimidazol-2-yl)methoxy…

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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) 1.94 7.05 -58.12 0 7 -1 86 289.267 5 ↓
Mid Mid (pH 6-8) 1.94 7.71 -51.56 1 7 0 87 290.275 5 ↓

Analogs

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Popular Name: [6-[(1-ethylimidazol-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol [6-[(1-ethylimidazol-2-yl)methox…

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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) 1.28 3.25 -11.52 1 6 0 66 276.292 5 ↓
Mid Mid (pH 6-8) 1.28 3.94 -37.13 2 6 1 67 277.3 5 ↓

Analogs

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Popular Name: 6-[(1-ethylimidazol-2-yl)methoxy]-1,3-benzodioxole-5-carbaldehyde 6-[(1-ethylimidazol-2-yl)methoxy…

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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) 1.74 5.52 -12.08 0 6 0 63 274.276 5 ↓
Mid Mid (pH 6-8) 1.74 6.21 -41.39 1 6 1 64 275.284 5 ↓

Parameters Provided:

ring.id = 151552
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 = 151552 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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