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

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Popular Name: 2,2-difluoro-N-(1H-imidazol-5-ylmethyl)-1,3-benzodioxol-5-amine 2,2-difluoro-N-(1H-imidazol-5-yl…

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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 4.22 -44.64 3 5 1 60 254.216 3 ↓
Mid Mid (pH 6-8) 1.94 3.74 -9.62 2 5 0 59 253.208 3 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1,3-benzodioxol-5-amine N-(1H-imidazol-5-ylmethyl)-1,3-b…

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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) 1.31 3.79 -42.52 3 5 1 60 218.236 3 ↓
Mid Mid (pH 6-8) 1.31 3.31 -10.28 2 5 0 59 217.228 3 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine N-(1H-imidazol-5-ylmethyl)-2,2-d…

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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) 2.12 5.41 -42.46 3 5 1 60 246.29 3 ↓
Mid Mid (pH 6-8) 2.12 4.93 -10.5 2 5 0 59 245.282 3 ↓

Analogs

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Popular Name: 6-chloro-N-(1H-imidazol-5-ylmethyl)-1,3-benzodioxol-5-amine 6-chloro-N-(1H-imidazol-5-ylmeth…

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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) 1.92 4.38 -40.51 3 5 1 60 252.681 3 ↓
Mid Mid (pH 6-8) 1.92 3.9 -9.31 2 5 0 59 251.673 3 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-6-nitro-1,3-benzodioxol-5-amine N-(1H-imidazol-5-ylmethyl)-6-nit…

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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 4.23 -11.84 2 8 0 105 262.225 4 ↓
Mid Mid (pH 6-8) 1.20 4.74 -43.83 3 8 1 106 263.233 4 ↓

Parameters Provided:

ring.id = 152500
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 = 152500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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