UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-methoxy-N-(4,4,6-trimethyl-5-o…

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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) 3.31 0.41 -15.6 1 6 0 68 354.406 3 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ac 2-(4-methoxyphenyl)-N-(4,4,6-tri…

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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) 3.41 0.41 -18.91 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 3-cyclopentyl-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-propanam 3-cyclopentyl-N-(4,4,6-trimethyl…

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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) 3.87 0.17 -14.97 1 5 0 59 344.455 4 ↓

Analogs

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Popular Name: 3-methyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-butanamide 3-methyl-N-(2,4,4-trimethyl-3-ox…

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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 0.6 -14.58 1 5 0 59 304.39 3 ↓

Analogs

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Popular Name: 3,5-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 3,5-dimethoxy-N-(4,4,6-trimethyl…

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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) 3.30 0.42 -17 1 7 0 77 384.432 4 ↓

Analogs

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Popular Name: 3,4,5-trimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 3,4,5-trimethoxy-N-(4,4,6-trimet…

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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) 2.89 1.19 -17.81 1 8 0 86 414.458 5 ↓

Analogs

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Popular Name: 2-methyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 2-methyl-N-(2,4,4-trimethyl-3-ox…

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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) 3.66 0.63 -13.46 1 5 0 59 338.407 2 ↓

Analogs

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Popular Name: 2-(2-naphthyloxy)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-acet 2-(2-naphthyloxy)-N-(4,4,6-trime…

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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 0.51 -22.26 1 6 0 68 404.466 4 ↓

Analogs

8958840
8958840
8958997
8958997
8959137
8959137

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Popular Name: 3-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-nitro-N-(4,4,6-trimethyl-5-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) 3.19 0.89 -22.59 1 8 0 104 369.377 3 ↓

Analogs

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Popular Name: 4-chloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-chloro-N-(4,4,6-trimethyl-5-ox…

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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) 3.93 0.23 -15.27 1 5 0 59 358.825 2 ↓

Analogs

8958844
8958844
8958999
8958999
8959139
8959139

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Popular Name: 4-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-nitro-N-(4,4,6-trimethyl-5-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) 3.22 0.89 -17.73 1 8 0 104 369.377 3 ↓

Analogs

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Popular Name: 2-phenoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-acetamide 2-phenoxy-N-(4,4,6-trimethyl-5-o…

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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 0.39 -20 1 6 0 68 354.406 4 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ac 2-(4-chlorophenoxy)-N-(4,4,6-tri…

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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 0.23 -19.92 1 6 0 68 388.851 4 ↓

Analogs

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Popular Name: 4-isopropoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 4-isopropoxy-N-(2,4,4-trimethyl-…

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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) 4.05 0.71 -14.62 1 6 0 68 382.46 4 ↓

Analogs

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Popular Name: 2-ethoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 2-ethoxy-N-(2,4,4-trimethyl-3-ox…

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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) 4.19 1.06 -17.23 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 4-butoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 4-butoxy-N-(2,4,4-trimethyl-3-ox…

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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) 4.75 0.62 -15.06 1 6 0 68 396.487 6 ↓

Analogs

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Popular Name: 2,3-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 2,3-dimethoxy-N-(4,4,6-trimethyl…

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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) 3.62 1.32 -18.79 1 7 0 77 384.432 4 ↓

Analogs

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Popular Name: N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)tetrahydrofuran-2-carbo N-(4,4,6-trimethyl-5-oxo-2-oxa-6…

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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) 1.92 -0.89 -18.77 1 6 0 68 318.373 2 ↓

Analogs

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Popular Name: N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)tetrahydrofuran-2-carbo N-(4,4,6-trimethyl-5-oxo-2-oxa-6…

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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) 1.92 -0.85 -15.66 1 6 0 68 318.373 2 ↓

Analogs

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Popular Name: 2,6-difluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2,6-difluoro-N-(4,4,6-trimethyl-…

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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) 3.49 1.54 -16.32 1 5 0 59 360.36 2 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ace 2-(4-chlorophenyl)-N-(4,4,6-trim…

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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) 4.03 0.24 -17.83 1 5 0 59 372.852 3 ↓

Analogs

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Popular Name: phenyl phenyl

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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) 3.44 0.46 -14.56 1 6 0 68 340.379 3 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-pr 3-(4-methoxyphenyl)-N-(4,4,6-tri…

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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) 3.92 0.49 -16.63 1 6 0 68 382.46 5 ↓

Analogs

8958870
8958870
8959020
8959020
8959156
8959156

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Popular Name: 2-methyl-3-nitro-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzam 2-methyl-3-nitro-N-(2,4,4-trimet…

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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) 3.57 1.05 -21.99 1 8 0 104 383.404 3 ↓

Analogs

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Popular Name: 2,6-dimethoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamid 2,6-dimethoxy-N-(4,4,6-trimethyl…

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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) 3.27 0.27 -17.76 1 7 0 77 384.432 4 ↓

Analogs

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Popular Name: N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)adamantane-1-carboxamid N-(4,4,6-trimethyl-5-oxo-2-oxa-6…

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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) 4.48 -0.15 -14.46 1 5 0 59 382.504 2 ↓

Analogs

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Popular Name: 5-bromo-2-chloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 5-bromo-2-chloro-N-(4,4,6-trimet…

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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) 4.67 -0.5 -13.39 1 5 0 59 437.721 2 ↓

Analogs

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Popular Name: 2-ethoxy-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-naphthalene-1- 2-ethoxy-N-(2,4,4-trimethyl-3-ox…

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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 0.25 -16.95 1 6 0 68 418.493 4 ↓

Analogs

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Popular Name: 3-(trifluoromethyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-be 3-(trifluoromethyl)-N-(4,4,6-tri…

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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) 4.13 2.55 -17.24 1 5 0 59 392.377 3 ↓

Analogs

8959162
8959162

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Popular Name: 5-chloro-2-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 5-chloro-2-nitro-N-(4,4,6-trimet…

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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 0.75 -19.58 1 8 0 104 403.822 3 ↓

Analogs

8958736
8958736
8958878
8958878
8959029
8959029
8959163
8959163

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Popular Name: 2-chloro-5-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benza 2-chloro-5-nitro-N-(4,4,6-trimet…

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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 0.77 -14.82 1 8 0 104 403.822 3 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)-5-methyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9 3-(2-chlorophenyl)-5-methyl-N-(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) 4.19 1.39 -16.21 1 7 0 85 439.899 3 ↓

Analogs

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Popular Name: N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)cyclohexanecarboxamide N-(4,4,6-trimethyl-5-oxo-2-oxa-6…

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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) 3.83 -0.02 -13.3 1 5 0 59 330.428 2 ↓

Analogs

8958883
8958883
8959034
8959034
8959167
8959167

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Popular Name: 3-methyl-4-nitro-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzam 3-methyl-4-nitro-N-(2,4,4-trimet…

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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 1.13 -17.2 1 8 0 104 383.404 3 ↓

Analogs

8736233
8736233
8736234
8736234
8736235
8736235

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Popular Name: 2,2-dimethyl-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-propanami 2,2-dimethyl-N-(4,4,6-trimethyl-…

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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) 3.25 0.96 -14.55 1 5 0 59 304.39 2 ↓

Analogs

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Popular Name: 4-(trifluoromethyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-be 4-(trifluoromethyl)-N-(4,4,6-tri…

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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) 4.15 2.53 -14.72 1 5 0 59 392.377 3 ↓

Analogs

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Popular Name: N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)cyclopentanecarboxamide N-(4,4,6-trimethyl-5-oxo-2-oxa-6…

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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) 3.33 -0.07 -11.41 1 5 0 59 316.401 2 ↓

Analogs

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Popular Name: 5-chloro-2-methoxy-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ben 5-chloro-2-methoxy-N-(4,4,6-trim…

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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) 4.47 0.9 -15.26 1 6 0 68 388.851 3 ↓

Analogs

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Popular Name: 2-(2-thienyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-acetamid 2-(2-thienyl)-N-(4,4,6-trimethyl…

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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) 3.25 -0.49 -17.62 1 5 0 59 344.436 3 ↓

Analogs

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Popular Name: 2-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2-fluoro-N-(4,4,6-trimethyl-5-ox…

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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) 3.37 1.05 -18.57 1 5 0 59 342.37 2 ↓

Analogs

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Popular Name: 4-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 4-fluoro-N-(4,4,6-trimethyl-5-ox…

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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 1.13 -14.6 1 5 0 59 342.37 2 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ace 2-(4-fluorophenyl)-N-(4,4,6-trim…

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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) 3.51 1.13 -18.65 1 5 0 59 356.397 3 ↓

Analogs

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Popular Name: 2-(trifluoromethyl)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-be 2-(trifluoromethyl)-N-(4,4,6-tri…

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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) 4.10 2.33 -18.72 1 5 0 59 392.377 3 ↓

Analogs

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Popular Name: 2-chloro-6-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benz 2-chloro-6-fluoro-N-(4,4,6-trime…

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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) 4.00 0.63 -15.43 1 5 0 59 376.815 2 ↓

Analogs

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Popular Name: 3-fluoro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 3-fluoro-N-(4,4,6-trimethyl-5-ox…

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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) 3.40 1.12 -14.19 1 5 0 59 342.37 2 ↓

Analogs

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Popular Name: 2-(4-ethoxyphenyl)-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-acet 2-(4-ethoxyphenyl)-N-(2,4,4-trim…

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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) 3.78 0.42 -18.77 1 6 0 68 382.46 5 ↓

Analogs

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Popular Name: 3,5-dimethyl-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-benzamide 3,5-dimethyl-N-(2,4,4-trimethyl-…

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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) 4.08 1.03 -14.26 1 5 0 59 352.434 2 ↓

Analogs

8959181
8959181

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Popular Name: 4,5-dimethoxy-2-nitro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)- 4,5-dimethoxy-2-nitro-N-(4,4,6-t…

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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) 2.79 1.26 -21.87 1 10 0 123 429.429 5 ↓

Analogs

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Popular Name: [2-[(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)carbamoyl]phenyl] [2-[(2,4,4-trimethyl-3-oxo-6-oxa…

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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) 3.31 2.13 -19.82 1 7 0 85 382.416 4 ↓

Analogs

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Popular Name: 2,5-dichloro-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-benzamide 2,5-dichloro-N-(4,4,6-trimethyl-…

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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) 4.54 0.11 -13.55 1 5 0 59 393.27 2 ↓

Parameters Provided:

ring.id = 10804
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 = 10804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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