UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-chlorophenyl)-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (4-chlorophenyl)-[(1R,4S,5R)-7-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) 3.00 6.71 -9.63 0 2 0 26 236.698 2 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (4-chlorophenyl)-[(1R,4S,5S)-7-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) 3.00 6.63 -5.42 0 2 0 26 236.698 2 ↓

Analogs

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Popular Name: (2-chlorophenyl)-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (2-chlorophenyl)-[(1R,4S,5R)-7-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) 2.95 6.7 -12.1 0 2 0 26 236.698 2 ↓

Analogs

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Popular Name: (2-chlorophenyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (2-chlorophenyl)-[(1R,4S,5S)-7-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) 2.95 6.62 -7.53 0 2 0 26 236.698 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (3-chlorophenyl)-[(1R,4S,5R)-7-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) 2.98 6.71 -8.2 0 2 0 26 236.698 2 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (3-chlorophenyl)-[(1R,4S,5S)-7-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) 2.98 6.63 -4.7 0 2 0 26 236.698 2 ↓

Analogs

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Popular Name: (4-fluorophenyl)-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (4-fluorophenyl)-[(1R,4S,5R)-7-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) 2.49 6.25 -10.05 0 2 0 26 220.243 2 ↓

Analogs

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Popular Name: (4-fluorophenyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (4-fluorophenyl)-[(1R,4S,5S)-7-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) 2.49 6.18 -5.8 0 2 0 26 220.243 2 ↓

Analogs

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Popular Name: [(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]-(p-tolyl)methanone [(1R,4S,5R)-7-oxabicyclo[2.2.1]h…

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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) 2.77 6.86 -10.38 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: [(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]-(p-tolyl)methanone [(1R,4S,5S)-7-oxabicyclo[2.2.1]h…

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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) 2.77 6.79 -5.95 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: (3-fluorophenyl)-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (3-fluorophenyl)-[(1R,4S,5R)-7-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) 2.46 6.25 -8.43 0 2 0 26 220.243 2 ↓

Analogs

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Popular Name: (3-fluorophenyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (3-fluorophenyl)-[(1R,4S,5S)-7-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) 2.46 6.18 -5 0 2 0 26 220.243 2 ↓

Analogs

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Popular Name: o-tolyl-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone o-tolyl-[(1R,4S,5R)-7-oxabicyclo…

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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) 2.72 6.87 -9.31 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: o-tolyl-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone o-tolyl-[(1R,4S,5S)-7-oxabicyclo…

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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) 2.72 6.78 -5.25 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: m-tolyl-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone m-tolyl-[(1R,4S,5R)-7-oxabicyclo…

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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 6.85 -10.63 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: m-tolyl-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone m-tolyl-[(1R,4S,5S)-7-oxabicyclo…

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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 6.78 -6.09 0 2 0 26 216.28 2 ↓

Analogs

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Popular Name: [(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]-phenyl-methanone [(1R,4S,5R)-7-oxabicyclo[2.2.1]h…

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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) 2.32 6.19 -10.52 0 2 0 26 202.253 2 ↓

Analogs

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Popular Name: [(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]-phenyl-methanone [(1R,4S,5S)-7-oxabicyclo[2.2.1]h…

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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) 2.32 6.11 -6.03 0 2 0 26 202.253 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)-[(1R,4S,5R)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (2-fluorophenyl)-[(1R,4S,5R)-7-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) 2.44 6.26 -14.97 0 2 0 26 220.243 2 ↓

Analogs

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Popular Name: (2-fluorophenyl)-[(1R,4S,5S)-7-oxabicyclo[2.2.1]heptan-5-yl]methanone (2-fluorophenyl)-[(1R,4S,5S)-7-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) 2.44 6.19 -9.72 0 2 0 26 220.243 2 ↓

Parameters Provided:

ring.id = 509135
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 = 509135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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