UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2- (2S)-1-(1,3-benzodioxol-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) 0.30 4.4 -38.57 2 7 1 70 346.407 6 ↓
Hi High (pH 8-9.5) 0.30 3.94 -15.31 1 7 0 69 345.399 6 ↓
Mid Mid (pH 6-8) 0.30 6.66 -105.55 3 7 2 71 347.415 6 ↓

Analogs

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Popular Name: (2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-2- (2R)-1-(1,3-benzodioxol-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) 0.30 4.31 -37.64 2 7 1 70 346.407 6 ↓
Hi High (pH 8-9.5) 0.30 3.84 -17.72 1 7 0 69 345.399 6 ↓
Mid Mid (pH 6-8) 0.30 6.59 -104.79 3 7 2 71 347.415 6 ↓

Parameters Provided:

ring.id = 353297
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 = 353297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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