UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethanol 2-[4-(2-piperazin-1-ylethyl)pipe…

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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) -1.07 -1.26 -90.55 4 5 2 48 244.383 5 ↓
Mid Mid (pH 6-8) -1.07 -1.18 -79.38 4 5 2 48 244.383 5 ↓
Mid Mid (pH 6-8) -1.07 -3.52 -39.83 3 5 1 47 243.375 5 ↓

Analogs

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Popular Name: 1-[(1R)-1-methylpropyl]-4-(2-piperazin-1-ylethyl)piperazine 1-[(1R)-1-methylpropyl]-4-(2-pip…

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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) 0.77 3.15 -78.71 3 4 2 28 256.438 5 ↓
Hi High (pH 8-9.5) 0.77 1.24 -37.26 2 4 1 26 255.43 5 ↓

Analogs

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Popular Name: 1-[(1S)-1-methylpropyl]-4-(2-piperazin-1-ylethyl)piperazine 1-[(1S)-1-methylpropyl]-4-(2-pip…

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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) 0.77 3.17 -78.54 3 4 2 28 256.438 5 ↓
Hi High (pH 8-9.5) 0.77 1.25 -37.27 2 4 1 26 255.43 5 ↓

Analogs

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Popular Name: 1-isobutyl-4-(2-piperazin-1-ylethyl)piperazine 1-isobutyl-4-(2-piperazin-1-ylet…

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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) 0.68 3.5 -79.49 3 4 2 28 256.438 5 ↓
Hi High (pH 8-9.5) 0.68 1.52 -37.57 2 4 1 26 255.43 5 ↓

Parameters Provided:

ring.id = 277696
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 = 277696 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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