UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23359592
23359592
37997677
37997677
37997678
37997678

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Popular Name: 1-[2-[[3-[(2R)-3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one 1-[2-[[3-[(2R)-3-(4-ethylpiperaz…

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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) 0.94 5.79 -88.14 4 7 2 74 406.571 11 ↓
Hi High (pH 8-9.5) 0.94 2.17 -12.85 2 7 0 68 404.555 11 ↓
Mid Mid (pH 6-8) 0.94 3.51 -48.34 3 7 1 73 405.563 11 ↓

Analogs

37997677
37997677
37997678
37997678
23359589
23359589

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Popular Name: 1-[2-[[3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one 1-[2-[[3-[(2S)-3-(4-ethylpiperaz…

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) 0.94 5.77 -87.64 4 7 2 74 406.571 11 ↓
Hi High (pH 8-9.5) 0.94 2.14 -12.71 2 7 0 68 404.555 11 ↓
Mid Mid (pH 6-8) 0.94 3.49 -48.14 3 7 1 73 405.563 11 ↓

Parameters Provided:

ring.id = 139045
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 = 139045 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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