UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S,6R)-2,6-dimethyl-1-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine (2S,6R)-2,6-dimethyl-1-[[(2R,4R)…

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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) 2.13 5.23 -39.39 2 4 1 38 291.415 3 ↓
Hi High (pH 8-9.5) 2.13 3.9 -4.4 1 4 0 34 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-1-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine (2S,6S)-2,6-dimethyl-1-[[(2R,4R)…

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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) 2.13 5.26 -40.24 2 4 1 38 291.415 3 ↓
Hi High (pH 8-9.5) 2.13 4.1 -4.44 1 4 0 34 290.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-2,6-dimethyl-1-[[(2R,4R)-2-methyl-2-phenyl-1,3-dioxolan-4-yl]methyl]piperazine (2R,6R)-2,6-dimethyl-1-[[(2R,4R)…

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) 2.13 5.41 -39.53 2 4 1 38 291.415 3 ↓
Hi High (pH 8-9.5) 2.13 4.25 -4.03 1 4 0 34 290.407 3 ↓

Parameters Provided:

ring.id = 285925
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 = 285925 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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