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Analogs

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Popular Name: (3E,5S)-3-[(4-nitrophenyl)methylene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5S)-3-[(4-nitrophenyl)methyl…

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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) 2.22 2.53 -12.21 0 6 0 75 246.222 2 ↓

Analogs

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Popular Name: (3E,5R)-3-[(4-nitrophenyl)methylene]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (3E,5R)-3-[(4-nitrophenyl)methyl…

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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) 2.22 2.49 -12.56 0 6 0 75 246.222 2 ↓

Analogs

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Popular Name: (2R,3E,5S)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5S)-3-[(4-nitrophenyl)met…

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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) 0.00 3.34 -52.24 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2S,3E,5S)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-3-[(4-nitrophenyl)met…

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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) 0.00 3.56 -51.79 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2R,3E,5R)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5R)-3-[(4-nitrophenyl)met…

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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) 0.00 3.55 -51.46 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2S,3E,5R)-3-[(4-nitrophenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5R)-3-[(4-nitrophenyl)met…

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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) 0.00 3.73 -48.31 0 8 -1 115 289.223 3 ↓

Analogs

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Popular Name: (2R,3E,5S)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5S)-3-[(4-methoxyphenyl)m…

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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) 0.10 1.91 -55.26 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2S,3E,5S)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-3-[(4-methoxyphenyl)m…

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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) 0.10 2.14 -55 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2R,3E,5R)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5R)-3-[(4-methoxyphenyl)m…

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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) 0.10 2.13 -52.37 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2S,3E,5R)-3-[(4-methoxyphenyl)methylene]-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5R)-3-[(4-methoxyphenyl)m…

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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) 0.10 2.3 -52.08 0 6 -1 79 274.252 3 ↓

Analogs

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Popular Name: (2R,3Z,5S)-3-benzylidene-2-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3Z,5S)-3-benzylidene-2-methy…

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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) -0.04 4.74 -54.72 0 5 -1 70 258.253 2 ↓

Analogs

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Popular Name: (2S,3Z,5S)-3-benzylidene-2-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3Z,5S)-3-benzylidene-2-methy…

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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) -0.04 4.12 -50.02 0 5 -1 70 258.253 2 ↓

Analogs

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Popular Name: (2R,3Z,5R)-3-benzylidene-2-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3Z,5R)-3-benzylidene-2-methy…

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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) -0.04 4.13 -50.12 0 5 -1 70 258.253 2 ↓

Analogs

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Popular Name: (2S,3Z,5R)-3-benzylidene-2-methyl-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3Z,5R)-3-benzylidene-2-methy…

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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) -0.04 3.93 -52.63 0 5 -1 70 258.253 2 ↓

Analogs

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Popular Name: (2R,3E,5S)-3-benzylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5S)-3-benzylidene-7-oxo-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) 0.04 2.63 -52.99 0 5 -1 70 244.226 2 ↓

Analogs

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Popular Name: (2S,3E,5S)-3-benzylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5S)-3-benzylidene-7-oxo-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) 0.04 2.85 -52.97 0 5 -1 70 244.226 2 ↓

Analogs

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Popular Name: (2R,3E,5R)-3-benzylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2R,3E,5R)-3-benzylidene-7-oxo-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) 0.04 2.83 -52.45 0 5 -1 70 244.226 2 ↓

Analogs

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Popular Name: (2S,3E,5R)-3-benzylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic (2S,3E,5R)-3-benzylidene-7-oxo-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) 0.04 3.01 -49.78 0 5 -1 70 244.226 2 ↓

Parameters Provided:

ring.id = 196722
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 = 196722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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