UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37990878
37990878

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Popular Name: 2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 2-fluoro-N-spiro[1,3-benzodioxol…

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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) 4.81 8.77 -17.36 1 4 0 48 327.355 2 ↓

Analogs

31882921
31882921

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Popular Name: 4-dimethylamino-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-dimethylamino-N-spiro[1,3-benz…

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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) 4.80 9.07 -15.92 1 5 0 51 352.434 3 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3,4-dimethyl-5-(methylsulfamoyl)…

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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) 4.52 6.45 -26.7 2 7 0 94 430.526 4 ↓

Analogs

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Popular Name: 4-[(isopropylcarbamoylamino)methyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-[(isopropylcarbamoylamino)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) 4.58 7.97 -22.67 3 7 0 89 423.513 5 ↓

Analogs

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Popular Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-methoxy-3-(2-methoxyethylsulfa…

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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) 3.73 4.72 -27.28 2 9 0 112 476.551 8 ↓

Analogs

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Popular Name: 2-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-5-sulfamoyl-benzamide 2-methyl-N-spiro[1,3-benzodioxol…

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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) 3.77 4.26 -20.85 3 7 0 108 402.472 3 ↓

Analogs

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Popular Name: 3-(allylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3-(allylsulfamoyl)-N-spiro[1,3-b…

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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) 4.38 6.36 -24.4 2 7 0 94 428.51 6 ↓

Analogs

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Popular Name: 4-(ethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(ethylsulfamoyl)-N-spiro[1,3-b…

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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) 4.14 5.78 -20.95 2 7 0 94 416.499 5 ↓

Analogs

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Popular Name: 4-(allylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(allylsulfamoyl)-N-spiro[1,3-b…

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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) 4.41 6.34 -20.72 2 7 0 94 428.51 6 ↓

Analogs

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Popular Name: 3-methanesulfonamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3-methanesulfonamido-N-spiro[1,3…

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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) 3.90 5.36 -29.66 2 7 0 94 402.472 4 ↓
Mid Mid (pH 6-8) 3.90 5.43 -58.78 1 7 -1 96 401.464 4 ↓

Analogs

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Popular Name: 4-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(methylsulfamoyl)-N-spiro[1,3-…

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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) 3.76 4.94 -21.43 2 7 0 94 402.472 4 ↓

Analogs

25102218
25102218

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Popular Name: 4-(2-ethylamino-2-oxo-ethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(2-ethylamino-2-oxo-ethoxy)-N-…

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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) 4.23 8.4 -23.54 2 7 0 86 410.47 6 ↓

Analogs

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Popular Name: 3-(ethylsulfonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3-(ethylsulfonylamino)-N-spiro[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) 4.28 6.37 -20.9 2 7 0 94 416.499 5 ↓
Mid Mid (pH 6-8) 4.28 6.44 -51.58 1 7 -1 96 415.491 5 ↓

Analogs

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Popular Name: 3,4-difluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3,4-difluoro-N-spiro[1,3-benzodi…

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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) 4.95 8.81 -15.19 1 4 0 48 345.345 2 ↓

Analogs

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Popular Name: 4-(2-amino-2-oxo-ethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(2-amino-2-oxo-ethoxy)-N-spiro…

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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) 3.48 6.14 -24.53 3 7 0 100 382.416 5 ↓

Parameters Provided:

ring.id = 107766
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 = 107766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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