UCSF
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Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine N-(1H-imidazol-5-ylmethyl)-2,3-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) 0.93 4.28 -41.22 3 5 1 60 232.263 3 ↓
Mid Mid (pH 6-8) 0.93 3.8 -10.7 2 5 0 59 231.255 3 ↓

Analogs

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Popular Name: 7-chloro-N-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine 7-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) 1.54 4.88 -39.71 3 5 1 60 266.708 3 ↓
Mid Mid (pH 6-8) 1.54 4.4 -9.92 2 5 0 59 265.7 3 ↓

Analogs

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Popular Name: 7-bromo-N-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine 7-bromo-N-(1H-imidazol-5-ylmethy…

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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) 1.67 5 -39.67 3 5 1 60 311.159 3 ↓
Mid Mid (pH 6-8) 1.67 4.52 -9.91 2 5 0 59 310.151 3 ↓

Parameters Provided:

ring.id = 152510
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 = 152510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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