UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-allyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide N-allyl-2-[4-(4-pyrrol-1-ylbenzo…

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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) 1.30 6.67 -12.64 1 6 0 58 352.438 6 ↓

Analogs

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Popular Name: N-butyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide N-butyl-2-[4-(4-pyrrol-1-ylbenzo…

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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) 2.10 7.65 -12.66 1 6 0 58 368.481 7 ↓

Analogs

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Popular Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone [4-(2,5-dimethylpyrrol-1-yl)phen…

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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) 0.87 6.91 -14.9 0 6 0 63 361.467 3 ↓

Analogs

12553732
12553732
31946045
31946045
32105787
32105787

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Popular Name: (4-methylpiperazino)[4-(1H-pyrrol-1-yl)phenyl]methanone (4-methylpiperazino)[4-(1H-pyrro…

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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) 1.05 9.04 -46.8 1 4 1 30 270.356 2 ↓
Mid Mid (pH 6-8) 1.05 6.7 -8.91 0 4 0 28 269.348 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-methylpiperazin-1-yl)methanone [4-(2,5-dimethylpyrrol-1-yl)phen…

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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) 1.50 10.22 -48.13 1 4 1 30 298.41 2 ↓
Mid Mid (pH 6-8) 1.50 7.87 -8.52 0 4 0 28 297.402 2 ↓

Analogs

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Popular Name: 2-[4-(3-fluoro-4-pyrrol-1-yl-benzoyl)piperazin-1-yl]-N-methyl-acetamide 2-[4-(3-fluoro-4-pyrrol-1-yl-ben…

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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) 0.96 5.52 -16.6 1 6 0 58 344.39 4 ↓

Analogs

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Popular Name: N-isopropyl-4-(4-pyrrol-1-ylbenzoyl)piperazine-1-carboxamide N-isopropyl-4-(4-pyrrol-1-ylbenz…

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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) 1.93 8.62 -15.62 1 6 0 58 340.427 3 ↓

Analogs

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Popular Name: (3-fluoro-4-pyrrol-1-yl-phenyl)-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone (3-fluoro-4-pyrrol-1-yl-phenyl)-…

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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) 1.53 6.79 -10.92 1 5 0 49 345.418 4 ↓
Lo Low (pH 4.5-6) 1.53 8.54 -51.15 2 5 1 50 346.426 4 ↓

Analogs

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Popular Name: 2-methyl-1-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]propan-1-one 2-methyl-1-[4-(4-pyrrol-1-ylbenz…

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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) 1.50 9.33 -15.02 0 5 0 46 325.412 3 ↓

Analogs

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Popular Name: (4-ethylsulfonylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone (4-ethylsulfonylpiperazin-1-yl)-…

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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) 0.80 6.57 -17.43 0 6 0 63 347.44 4 ↓

Parameters Provided:

ring.id = 26817
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 = 26817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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