UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233181
12233181

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(oxo-phenyl-BLAHyl)acetamide N-(1,3-benzodioxol-5-yl)-2-(oxo-…

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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) 2.61 -2.01 -17.17 1 9 0 100 447.476 4 ↓

Analogs

12233179
12233179

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(oxo-phenyl-BLAHyl)acetamide N-(1,3-benzodioxol-5-yl)-2-(oxo-…

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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) 2.61 -2.02 -15.74 1 9 0 100 447.476 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(m-tolyl-oxo-BLAHyl)acetamide N-(1,3-benzodioxol-5-yl)-2-(m-to…

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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) 3.24 9.55 -15.59 1 9 0 100 461.503 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(m-tolyl-oxo-BLAHyl)acetamide N-(1,3-benzodioxol-5-yl)-2-(m-to…

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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) 3.24 9.59 -17.28 1 9 0 100 461.503 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(3-c…

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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) 3.47 9.41 -15.42 1 9 0 100 481.921 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(3-c…

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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) 3.47 9.43 -16.73 1 9 0 100 481.921 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(4-c…

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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) 3.29 9.42 -13.91 1 9 0 100 481.921 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(4-c…

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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) 3.29 9.44 -15.43 1 9 0 100 481.921 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(4-f…

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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) 2.77 8.96 -14.13 1 9 0 100 465.466 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(4-f…

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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) 2.77 8.99 -15.68 1 9 0 100 465.466 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(3,4…

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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) 3.64 10.09 -15.64 1 9 0 100 475.53 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(3,4…

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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) 3.64 10.13 -17.28 1 9 0 100 475.53 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(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) 3.64 10.4 -15.14 1 9 0 100 475.53 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[(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) 3.64 10.42 -17.61 1 9 0 100 475.53 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[oxo-…

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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) 3.06 9.56 -15.36 1 9 0 100 461.503 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-2-[oxo-(p-tolyl)BLAHyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[oxo-…

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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) 3.06 9.6 -16.99 1 9 0 100 461.503 4 ↓

Parameters Provided:

ring.id = 97634
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 = 97634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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