UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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

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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) 4.51 0.12 -22.11 1 6 0 68 423.296 4 ↓

Analogs

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Popular Name: 2-(2-methylphenoxy)-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-ace 2-(2-methylphenoxy)-N-(2,4,4-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) 3.63 0.76 -19.63 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 2-(3-methylphenoxy)-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-ace 2-(3-methylphenoxy)-N-(2,4,4-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) 3.65 0.71 -20.12 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 2-(4-methylphenoxy)-N-(2,4,4-trimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-ace 2-(4-methylphenoxy)-N-(2,4,4-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) 3.67 0.71 -19.91 1 6 0 68 368.433 4 ↓

Analogs

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Popular Name: 2-(2-fluorophenoxy)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ac 2-(2-fluorophenoxy)-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) 3.34 1.12 -24.33 1 6 0 68 372.396 4 ↓

Analogs

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Popular Name: 2-(4-fluorophenoxy)-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-ac 2-(4-fluorophenoxy)-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) 3.39 1.11 -20.46 1 6 0 68 372.396 4 ↓

Analogs

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

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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) 2.84 0.63 -23.5 1 7 0 77 384.432 5 ↓

Analogs

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

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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) 3.26 0.41 -22.95 1 7 0 77 384.432 5 ↓

Analogs

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

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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) 3.28 0.39 -21.29 1 7 0 77 384.432 5 ↓

Analogs

8958703
8958703
8958846
8958846
8959001
8959001

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Popular Name: N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-phenoxy-acetamid N-(2-ethyl-4,4-dimethyl-3-oxo-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) 3.60 0.66 -20.01 1 6 0 68 368.433 5 ↓

Analogs

8958847
8958847
8959003
8959003

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Popular Name: 2-(4-chlorophenoxy)-N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl 2-(4-chlorophenoxy)-N-(2-ethyl-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) 4.28 0.52 -19.89 1 6 0 68 402.878 5 ↓

Analogs

8958960
8958960

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Popular Name: 2-(2,4-dichlorophenoxy)-N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien- 2-(2,4-dichlorophenoxy)-N-(2-eth…

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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) 4.89 0.41 -22.06 1 6 0 68 437.323 5 ↓

Analogs

8958973
8958973
8959111
8959111

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Popular Name: N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-(2-methylphenoxy N-(2-ethyl-4,4-dimethyl-3-oxo-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) 4.00 1.05 -19.63 1 6 0 68 382.46 5 ↓

Analogs

8958974
8958974
8959113
8959113

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Popular Name: N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-(3-methylphenoxy N-(2-ethyl-4,4-dimethyl-3-oxo-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) 4.03 0.99 -20.14 1 6 0 68 382.46 5 ↓

Analogs

8958975
8958975
8959115
8959115

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Popular Name: N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-(4-methylphenoxy N-(2-ethyl-4,4-dimethyl-3-oxo-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) 4.05 0.99 -19.93 1 6 0 68 382.46 5 ↓

Parameters Provided:

ring.id = 10813
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 = 10813 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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