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

Analogs

36535364
36535364
36589344
36589344
36589345
36589345

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N,3-dimethyl-but-2-enamide N-[(1S)-1-(1,3-benzodioxol-5-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) 3.82 8.02 -10.49 1 6 0 68 372.465 5 ↓

Analogs

36589344
36589344
36589345
36589345
36535363
36535363

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N,3-dimethyl-but-2-enamide N-[(1R)-1-(1,3-benzodioxol-5-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) 3.82 7.84 -11.07 1 6 0 68 372.465 5 ↓

Analogs

36535674
36535674
36574110
36574110
36574111
36574111
36589650
36589650
36589651
36589651

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-butanamide N-[(1S)-1-(1,3-benzodioxol-5-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) 3.59 7.5 -10.82 1 6 0 68 360.454 6 ↓

Analogs

36574110
36574110
36574111
36574111
36589650
36589650
36589651
36589651
36517225
36517225

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-butanamide N-[(1R)-1-(1,3-benzodioxol-5-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) 3.59 7.32 -11.1 1 6 0 68 360.454 6 ↓

Analogs

36535984
36535984
36590248
36590248
36590249
36590249

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Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)-methyl-amino]-N-cyclohexyl-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) 2.75 6.29 -20.69 1 6 0 68 366.845 5 ↓

Analogs

36590248
36590248
36590249
36590249
36535983
36535983

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-[(2-chloroacetyl)-methyl-amino]-N-cyclohexyl-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) 2.75 7.36 -16.91 1 6 0 68 366.845 5 ↓

Analogs

36536554
36536554
36590755
36590755
36590756
36590756

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-[(2-hydroxyacetyl)-methyl-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) 1.52 4.74 -20.51 2 7 0 88 348.399 5 ↓

Analogs

36590755
36590755
36590756
36590756
36536553
36536553

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-[(2-hydroxyacetyl)-methyl-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) 1.52 4.67 -20.64 2 7 0 88 348.399 5 ↓

Analogs

36536864
36536864
36575251
36575251
36575252
36575252
36591053
36591053
36591054
36591054

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-hexanamide N-[(1S)-1-(1,3-benzodioxol-5-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) 4.60 9.06 -10.77 1 6 0 68 388.508 8 ↓

Analogs

36575251
36575251
36575252
36575252
36591053
36591053
36591054
36591054
36518648
36518648

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-hexanamide N-[(1R)-1-(1,3-benzodioxol-5-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) 4.60 8.88 -10.99 1 6 0 68 388.508 8 ↓

Analogs

36538063
36538063
36576699
36576699
36576700
36576700
36592152
36592152
36592153
36592153

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N,2-dimethyl-prop-2-enamide N-[(1S)-1-(1,3-benzodioxol-5-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) 3.34 6.4 -14.04 1 6 0 68 358.438 5 ↓

Analogs

36576699
36576699
36576700
36576700
36592152
36592152
36592153
36592153
36538062
36538062

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N,2-dimethyl-prop-2-enamide N-[(1R)-1-(1,3-benzodioxol-5-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) 3.34 6.55 -11.31 1 6 0 68 358.438 5 ↓

Analogs

36538373
36538373
36592458
36592458
36592459
36592459

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-[(2-methoxyacetyl)-methyl-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) 2.13 5.92 -13.99 1 7 0 77 362.426 6 ↓

Analogs

36592458
36592458
36592459
36592459
36538372
36538372

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-[(2-methoxyacetyl)-methyl-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) 2.13 5.93 -14.03 1 7 0 77 362.426 6 ↓

Analogs

36540192
36540192
36570062
36570062
36570063
36570063
36573008
36573008
36573009
36573009

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-propanamide N-[(1S)-1-(1,3-benzodioxol-5-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) 3.03 6.16 -14.31 1 6 0 68 346.427 5 ↓

Analogs

36570062
36570062
36570063
36570063
36573008
36573008
36573009
36573009
36573016
36573016

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-propanamide N-[(1R)-1-(1,3-benzodioxol-5-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) 3.03 6.44 -15.63 1 6 0 68 346.427 5 ↓

Analogs

36540502
36540502
36579073
36579073
36579074
36579074
36594744
36594744
36594745
36594745

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-pentanamide N-[(1S)-1-(1,3-benzodioxol-5-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) 4.09 8.28 -10.86 1 6 0 68 374.481 7 ↓

Analogs

36579073
36579073
36579074
36579074
36594744
36594744
36594745
36594745
36523044
36523044

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-methyl-pentanamide N-[(1R)-1-(1,3-benzodioxol-5-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) 4.09 8.1 -11.13 1 6 0 68 374.481 7 ↓

Parameters Provided:

ring.id = 95857
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 = 95857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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