UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: [4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)m [4-[(2R)-2-hydroxy-3,3-dimethyl-…

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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) 0.72 5.35 -13.62 1 7 0 74 345.447 4 ↓
Lo Low (pH 4.5-6) 0.72 7.64 -56.31 2 7 1 75 346.455 4 ↓

Analogs

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Popular Name: [4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)m [4-[(2S)-2-hydroxy-3,3-dimethyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.72 5.48 -13.95 1 7 0 74 345.447 4 ↓
Lo Low (pH 4.5-6) 0.72 7.69 -56.57 2 7 1 75 346.455 4 ↓

Parameters Provided:

ring.id = 499264
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 = 499264 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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