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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-piperazin-1-yl-1-(1,4-thiazepan-4-yl)ethanone 2-piperazin-1-yl-1-(1,4-thiazepa…

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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) -0.35 3.09 -41.25 2 4 1 40 244.384 2 ↓
Hi High (pH 8-9.5) -0.35 1.73 -8.81 1 4 0 36 243.376 2 ↓

Analogs

42445016
42445016

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Popular Name: (2S)-2-piperazin-1-yl-1-(1,4-thiazepan-4-yl)propan-1-one (2S)-2-piperazin-1-yl-1-(1,4-thi…

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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) -0.02 3.08 -42.16 2 4 1 40 258.411 2 ↓
Hi High (pH 8-9.5) -0.02 1.72 -8.13 1 4 0 36 257.403 2 ↓

Analogs

42445014
42445014

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Popular Name: (2R)-2-piperazin-1-yl-1-(1,4-thiazepan-4-yl)propan-1-one (2R)-2-piperazin-1-yl-1-(1,4-thi…

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) -0.02 3.32 -43.98 2 4 1 40 258.411 2 ↓
Hi High (pH 8-9.5) -0.02 1.99 -8.5 1 4 0 36 257.403 2 ↓

Parameters Provided:

ring.id = 618775
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 = 618775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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