UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-(tert-butyl)cyclohexyliden]-N-[(4-fluorobenzoyl)oxy]amine N-[4-(tert-butyl)cyclohexyliden]…

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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) 5.20 10.98 -8.44 0 3 0 39 291.366 4 ↓

Analogs

34928722
34928722

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Popular Name: cyclohexanone, O-(2-methylbenzoyl)oxime cyclohexanone, O-(2-methylbenzoy…

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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 9.68 -9.02 0 3 0 39 231.295 3 ↓

Analogs

33960377
33960377
33960378
33960378

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Popular Name: cyclohexanone, O-(2-bromobenzoyl)oxime cyclohexanone, O-(2-bromobenzoyl…

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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) 4.36 9.62 -10.55 0 3 0 39 296.164 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(4-fluorobenzoyl)oxime cyclohexanone, O-(4-fluorobenzoy…

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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 9.21 -8.01 0 3 0 39 235.258 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(2,4-dichlorobenzoyl)oxime cyclohexanone, O-(2,4-dichlorobe…

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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) 4.88 10.05 -8.49 0 3 0 39 286.158 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(2-iodobenzoyl)oxime cyclohexanone, O-(2-iodobenzoyl)…

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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) 4.63 10.05 -9.57 0 3 0 39 343.164 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(3-methylbenzoyl)oxime cyclohexanone, O-(3-methylbenzoy…

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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) 4.36 9.8 -9.69 0 3 0 39 231.295 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(3-nitrobenzoyl)oxime cyclohexanone, O-(3-nitrobenzoyl…

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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 9.81 -14.25 0 6 0 84 262.265 4 ↓

Analogs

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Popular Name: cyclohexanone, O-benzoyloxime cyclohexanone, O-benzoyloxime

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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) 3.94 9.12 -9.8 0 3 0 39 217.268 3 ↓

Analogs

6394810
6394810

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Popular Name: cyclohexanone, O-(4-methoxybenzoyl)oxime cyclohexanone, O-(4-methoxybenzo…

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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) 3.99 8.45 -9.76 0 4 0 48 247.294 4 ↓

Analogs

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Popular Name: cyclohexanone, O-(4-methylbenzoyl)oxime cyclohexanone, O-(4-methylbenzoy…

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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) 4.39 9.81 -9.37 0 3 0 39 231.295 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(3-bromo-4-methylbenzoyl)oxime cyclohexanone, O-(3-bromo-4-meth…

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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) 5.12 10.32 -9.46 0 3 0 39 310.191 3 ↓

Analogs

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Popular Name: cyclohexanone, O-(3-iodo-4-methylbenzoyl)oxime cyclohexanone, O-(3-iodo-4-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) 5.40 10.76 -9.4 0 3 0 39 357.191 3 ↓

Analogs

6394811
6394811

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Popular Name: cyclohexanone, O-(3-chlorobenzoyl)oxime cyclohexanone, O-(3-chlorobenzoy…

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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) 4.59 9.65 -9.51 0 3 0 39 251.713 3 ↓

Parameters Provided:

ring.id = 228889
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 = 228889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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