UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(brosylamino)-N-isobutyl-2-(4-methylpiperidino)benzamide 5-(brosylamino)-N-isobutyl-2-(4-…

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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) 5.01 -5.3 -12.15 2 6 0 78 508.482 7 ↓

Analogs

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Popular Name: N-isobutyl-2-(4-methylpiperidino)-5-(tosylamino)benzamide N-isobutyl-2-(4-methylpiperidino…

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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) 4.65 -4.22 -12.55 2 6 0 78 443.613 7 ↓

Analogs

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Popular Name: 5-[(4-acetamidophenyl)sulfonylamino]-N-isobutyl-2-(4-methylpiperidino)benzamide 5-[(4-acetamidophenyl)sulfonylam…

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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) 3.42 -5.91 -18.43 3 8 0 107 486.638 8 ↓

Analogs

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Popular Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-isobutyl-2-(4-methylpiperidino)benzamide 5-[(4-tert-butylphenyl)sulfonyla…

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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) 5.90 -3.39 -12.06 2 6 0 78 485.694 8 ↓

Analogs

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Popular Name: N-isobutyl-5-(mesitylsulfonylamino)-2-(4-methylpiperidino)benzamide N-isobutyl-5-(mesitylsulfonylami…

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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) 5.40 -3.38 -12.71 2 6 0 78 471.667 7 ↓

Analogs

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Popular Name: N-isobutyl-5-[(4-methoxyphenyl)sulfonylamino]-2-(4-methylpiperidino)benzamide N-isobutyl-5-[(4-methoxyphenyl)s…

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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) 4.25 -4.52 -13.64 2 7 0 87 459.612 8 ↓

Analogs

16531276
16531276

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Popular Name: 5-[(4-chlorophenyl)sulfonylamino]-N-isopropyl-2-(4-methylpiperidino)benzamide 5-[(4-chlorophenyl)sulfonylamino…

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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) 4.43 -4.76 -12.49 2 6 0 78 450.004 6 ↓

Analogs

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Popular Name: 5-[(4-tert-butylphenyl)sulfonylamino]-N-isopropyl-2-(4-methylpiperidino)benzamide 5-[(4-tert-butylphenyl)sulfonyla…

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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) 5.46 -3.46 -12.33 2 6 0 78 471.667 7 ↓

Analogs

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Popular Name: N-methyl-4-[[4-(4-methyl-1-piperidyl)phenyl]sulfamoyl]benzamide N-methyl-4-[[4-(4-methyl-1-piper…

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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) 3.15 5.65 -13.24 2 6 0 79 387.505 5 ↓
Mid Mid (pH 6-8) 3.15 5.72 -49.24 1 6 -1 81 386.497 5 ↓
Mid Mid (pH 6-8) 3.15 6.37 -46.31 2 6 0 82 387.505 5 ↓

Analogs

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Popular Name: 2-hydroxy-4-methyl-5-[[4-(4-methyl-1-piperidyl)phenyl]sulfamoyl]benzoic 2-hydroxy-4-methyl-5-[[4-(4-meth…

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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) 4.24 6.38 -59.32 2 7 -1 110 403.48 5 ↓
Hi High (pH 8-9.5) 4.24 6.8 -111.81 1 7 -2 112 402.472 5 ↓
Lo Low (pH 4.5-6) 4.24 7.04 -67.88 3 7 0 111 404.488 5 ↓

Parameters Provided:

ring.id = 719
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 = 719 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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