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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-methoxyphenyl)methanone [(5S)-5-hydroxy-3-methyl-5-(trif…

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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) 2.19 0.23 -11.26 1 5 0 62 302.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-methoxyphenyl)methanone [(5R)-5-hydroxy-3-methyl-5-(trif…

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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) 2.19 0.26 -11.26 1 5 0 62 302.252 3 ↓

Analogs

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Popular Name: [(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-hydroxyphenyl)methanone [(5S)-3-ethyl-5-hydroxy-5-(trifl…

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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) 2.13 -1.62 -11.24 2 5 0 73 302.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-hydroxyphenyl)methanone [(5R)-3-ethyl-5-hydroxy-5-(trifl…

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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) 2.13 -1.63 -11.03 2 5 0 73 302.252 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-methoxyphenyl)methanone [(5S)-3-ethyl-5-hydroxy-5-(trifl…

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) 2.69 0.38 -10.88 1 5 0 62 316.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-methoxyphenyl)methanone [(5R)-3-ethyl-5-hydroxy-5-(trifl…

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) 2.69 0.36 -10.8 1 5 0 62 316.279 4 ↓

Analogs

356176
356176

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-phenyl-methanone [(5S)-3-ethyl-5-hydroxy-5-(trifl…

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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) 2.64 3.82 -16.95 1 4 0 53 286.253 3 ↓
Hi High (pH 8-9.5) 2.64 4.38 -56.87 0 4 -1 56 285.245 3 ↓

Analogs

356176
356176

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-phenyl-methanone [(5R)-3-ethyl-5-hydroxy-5-(trifl…

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) 2.64 3.85 -17.01 1 4 0 53 286.253 3 ↓
Hi High (pH 8-9.5) 2.64 4.42 -56.91 0 4 -1 56 285.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-hydroxy-3-methyl-phenyl)methanone [(5S)-3-ethyl-5-hydroxy-5-(trifl…

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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) 3.32 -0.58 -12.19 2 5 0 73 316.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-hydroxy-3-methyl-phenyl)methanone [(5R)-3-ethyl-5-hydroxy-5-(trifl…

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) 3.32 -0.48 -11.84 2 5 0 73 316.279 3 ↓

Parameters Provided:

ring.id = 220871
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 = 220871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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