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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-4-phenylcyclohexene-1-carboxylic (4R)-4-phenylcyclohexene-1-carbo…

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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) 2.76 8.7 -48.14 0 2 -1 40 201.245 2 ↓
Lo Low (pH 4.5-6) 2.76 6.71 -5.8 1 2 0 37 202.253 2 ↓

Analogs

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Popular Name: (4S)-4-phenylcyclohexene-1-carboxylic (4S)-4-phenylcyclohexene-1-carbo…

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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) 2.76 8.7 -48.13 0 2 -1 40 201.245 2 ↓
Lo Low (pH 4.5-6) 2.76 6.71 -5.81 1 2 0 37 202.253 2 ↓

Analogs

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Popular Name: (4R)-4-(4-methoxyphenyl)cyclohexene-1-carboxylic (4R)-4-(4-methoxyphenyl)cyclohex…

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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) 2.81 8 -49.19 0 3 -1 49 231.271 3 ↓
Lo Low (pH 4.5-6) 2.81 6.01 -7.45 1 3 0 47 232.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-methoxyphenyl)cyclohexene-1-carboxylic (4S)-4-(4-methoxyphenyl)cyclohex…

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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) 2.81 8 -49.16 0 3 -1 49 231.271 3 ↓
Lo Low (pH 4.5-6) 2.81 6.01 -7.46 1 3 0 47 232.279 3 ↓

Analogs

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Popular Name: (4R)-4-(4-chlorophenyl)cyclohexene-1-carboxylic (4R)-4-(4-chlorophenyl)cyclohexe…

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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) 3.43 9.21 -47.39 0 2 -1 40 235.69 2 ↓
Lo Low (pH 4.5-6) 3.43 7.23 -6.39 1 2 0 37 236.698 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(4-chlorophenyl)cyclohexene-1-carboxylic (4S)-4-(4-chlorophenyl)cyclohexe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.43 9.22 -47.39 0 2 -1 40 235.69 2 ↓
Lo Low (pH 4.5-6) 3.43 7.23 -6.41 1 2 0 37 236.698 2 ↓

Parameters Provided:

ring.id = 27450
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 = 27450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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