UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-4-(1-ethylpropyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4R)-4-(1-ethylpropyl)-5-(1H-imi…

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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) 2.05 9.1 -79.87 4 5 2 63 275.4 5 ↓
Hi High (pH 8-9.5) 2.05 6.37 -10.18 2 5 0 61 273.384 5 ↓
Hi High (pH 8-9.5) 2.05 7.33 -37.61 3 5 1 62 274.392 5 ↓

Analogs

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Popular Name: (4S)-4-(1-ethylpropyl)-5-(1H-imidazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (4S)-4-(1-ethylpropyl)-5-(1H-imi…

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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) 2.05 9.19 -80.42 4 5 2 63 275.4 5 ↓
Hi High (pH 8-9.5) 2.05 8.37 -7.81 2 5 0 61 273.384 5 ↓
Hi High (pH 8-9.5) 2.05 8.37 -37.2 3 5 1 62 274.392 5 ↓

Parameters Provided:

ring.id = 578819
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 = 578819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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