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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36539878
36539878
36540187
36540187
36540188
36540188
36588587
36588587
36588588
36588588

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Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-N-tert-butyl-2-[methyl-(2-phenylacetyl)amino]acetamide (2R)-2-(1,3-benzodioxol-5-yl)-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) 3.23 8.27 -11.72 1 6 0 68 382.46 6 ↓

Analogs

36540187
36540187
36540188
36540188
36588587
36588587
36588588
36588588
36534289
36534289

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Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-N-tert-butyl-2-[methyl-(2-phenylacetyl)amino]acetamide (2S)-2-(1,3-benzodioxol-5-yl)-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) 3.23 8.12 -12.15 1 6 0 68 382.46 6 ↓

Analogs

36539884
36539884
36572806
36572806
36572807
36572807
36573010
36573010
36573011
36573011

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Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-[methyl-(2-phenylacetyl)amino]-N-(1,1,3,3-tetramethylbutyl)acetamide (2R)-2-(1,3-benzodioxol-5-yl)-2-…

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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) 4.83 11.22 -11.23 1 6 0 68 438.568 8 ↓

Analogs

36572806
36572806
36572807
36572807
36573010
36573010
36573011
36573011
36578457
36578457

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Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[methyl-(2-phenylacetyl)amino]-N-(1,1,3,3-tetramethylbutyl)acetamide (2S)-2-(1,3-benzodioxol-5-yl)-2-…

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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) 4.83 11.33 -11.45 1 6 0 68 438.568 8 ↓

Analogs

36539886
36539886
36572808
36572808
36572809
36572809
36573012
36573012
36573013
36573013

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Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-N-butyl-2-[methyl-(2-phenylacetyl)amino]acetamide (2R)-2-(1,3-benzodioxol-5-yl)-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) 3.48 8.51 -12.04 1 6 0 68 382.46 8 ↓

Analogs

36572808
36572808
36572809
36572809
36573012
36573012
36573013
36573013
36578459
36578459

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Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-N-butyl-2-[methyl-(2-phenylacetyl)amino]acetamide (2S)-2-(1,3-benzodioxol-5-yl)-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) 3.48 8.36 -12.59 1 6 0 68 382.46 8 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-N-methyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.92 8.14 -15.38 0 4 0 39 301.317 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromophenyl)-N-methyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.56 8.7 -14.6 0 4 0 39 362.223 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(2-nitrophenyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-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) 2.67 8.46 -21.63 0 7 0 85 328.324 5 ↓

Analogs

36730710
36730710

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-(4-nitrophenyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-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) 2.71 8.79 -18.94 0 7 0 85 328.324 5 ↓

Analogs

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Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(propyl)amino]-2-phenyl-acetamide (2S)-N-(1,3-benzodioxol-5-ylmeth…

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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) 3.20 6.65 -9.58 1 5 0 51 340.423 7 ↓
Mid Mid (pH 6-8) 3.20 8.55 -38.73 2 5 1 52 341.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(propyl)amino]-2-phenyl-acetamide (2R)-N-(1,3-benzodioxol-5-ylmeth…

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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) 3.20 6.54 -8.69 1 5 0 51 340.423 7 ↓
Mid Mid (pH 6-8) 3.20 8.55 -37.96 2 5 1 52 341.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(2-nitrophenyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-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) 3.04 9.37 -20.78 0 7 0 85 342.351 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-nitrophenyl)acetamide N-(1,3-benzodioxol-5-ylmethyl)-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) 3.09 9.7 -18.03 0 7 0 85 342.351 6 ↓

Analogs

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Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-phenyl-butanamide (2S)-N-(1,3-benzodioxol-5-ylmeth…

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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 9.07 -10.34 0 4 0 39 311.381 5 ↓

Analogs

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Popular Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-phenyl-butanamide (2R)-N-(1,3-benzodioxol-5-ylmeth…

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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 9.06 -10.24 0 4 0 39 311.381 5 ↓

Analogs

7272978
7272978

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-N-methyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 3.39 8.5 -14.8 0 4 0 39 317.772 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluorophenyl)-N-methyl-acetamide N-(1,3-benzodioxol-5-ylmethyl)-2…

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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) 2.90 8.14 -16.09 0 4 0 39 301.317 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-2-phenyl-propanamide N-(1,3-benzodioxol-5-ylmethyl)-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) 3.73 8.76 -9.5 0 4 0 39 311.381 4 ↓

Parameters Provided:

ring.id = 25978
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 = 25978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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