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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: 5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]furan-2-carbaldehyde 5-[4-[(1R)-1-methylpropyl]pipera…

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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) 2.31 6.9 -44.15 1 4 1 38 237.323 4 ↓
Hi High (pH 8-9.5) 2.31 5.03 -10.44 0 4 0 37 236.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[(1S)-1-methylpropyl]piperazin-1-yl]furan-2-carbaldehyde 5-[4-[(1S)-1-methylpropyl]pipera…

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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) 2.31 6.9 -44.62 1 4 1 38 237.323 4 ↓
Hi High (pH 8-9.5) 2.31 5.06 -10.5 0 4 0 37 236.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-isobutylpiperazin-1-yl)furan-2-carbaldehyde 5-(4-isobutylpiperazin-1-yl)fura…

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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) 2.23 7.25 -46.26 1 4 1 38 237.323 4 ↓
Hi High (pH 8-9.5) 2.23 5.33 -10.46 0 4 0 37 236.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]furan-2-carboxylic 5-[4-[(1R)-1-methylpropyl]pipera…

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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) 2.09 5.75 -79.65 1 5 0 61 252.314 4 ↓
Hi High (pH 8-9.5) 2.09 3.9 -56.45 0 5 -1 60 251.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[(1S)-1-methylpropyl]piperazin-1-yl]furan-2-carboxylic 5-[4-[(1S)-1-methylpropyl]pipera…

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) 2.09 5.77 -79.7 1 5 0 61 252.314 4 ↓
Hi High (pH 8-9.5) 2.09 3.93 -56.47 0 5 -1 60 251.306 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-isobutylpiperazin-1-yl)furan-2-carboxylic 5-(4-isobutylpiperazin-1-yl)fura…

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) 2.01 6.11 -81.5 1 5 0 61 252.314 4 ↓
Hi High (pH 8-9.5) 2.01 4.18 -56.38 0 5 -1 60 251.306 4 ↓

Parameters Provided:

ring.id = 392227
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 = 392227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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