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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: 4-[4-[(1R)-1-methylpropyl]piperazin-1-yl]-1-phenyl-butan-1-one 4-[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) 3.13 9.05 -35.02 1 3 1 25 289.443 7 ↓
Hi High (pH 8-9.5) 3.13 7.13 -7.34 0 3 0 24 288.435 7 ↓

Analogs

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Popular Name: 4-[4-[(1S)-1-methylpropyl]piperazin-1-yl]-1-phenyl-butan-1-one 4-[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) 3.13 9.06 -35.18 1 3 1 25 289.443 7 ↓
Hi High (pH 8-9.5) 3.13 7.14 -7.3 0 3 0 24 288.435 7 ↓

Analogs

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Popular Name: 4-(4-tert-butylpiperazin-1-yl)-1-phenyl-butan-1-one 4-(4-tert-butylpiperazin-1-yl)-1…

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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) 3.11 8.69 -34.21 1 3 1 25 289.443 6 ↓
Hi High (pH 8-9.5) 3.11 6.55 -7.52 0 3 0 24 288.435 6 ↓

Analogs

45699885
45699885

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Popular Name: 1-(4-bromophenyl)-4-(4-isopropylpiperazin-1-yl)butan-1-one 1-(4-bromophenyl)-4-(4-isopropyl…

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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) 3.41 9.09 -35.51 1 3 1 25 354.312 6 ↓
Hi High (pH 8-9.5) 3.41 6.88 -7.1 0 3 0 24 353.304 6 ↓

Analogs

45699898
45699898

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Popular Name: 4-(4-isopropylpiperazin-1-yl)-1-phenyl-butan-1-one 4-(4-isopropylpiperazin-1-yl)-1-…

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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) 2.60 8.47 -35.19 1 3 1 25 275.416 6 ↓
Hi High (pH 8-9.5) 2.60 6.23 -7.72 0 3 0 24 274.408 6 ↓

Analogs

45699908
45699908

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Popular Name: 1-(4-fluorophenyl)-4-(4-isopropylpiperazin-1-yl)butan-1-one 1-(4-fluorophenyl)-4-(4-isopropy…

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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) 2.76 8.53 -36.09 1 3 1 25 293.406 6 ↓
Hi High (pH 8-9.5) 2.76 6.32 -7.63 0 3 0 24 292.398 6 ↓

Parameters Provided:

ring.id = 5122
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 = 5122 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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