UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39564070
39564070
188573
188573

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Popular Name: [3-phenyl-1-(p-tolyl)pyrazol-4-yl]-(1-piperidyl)methanone [3-phenyl-1-(p-tolyl)pyrazol-4-y…

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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) 3.59 11.95 -12.09 0 4 0 38 345.446 3 ↓

Analogs

20893352
20893352
20898308
20898308
20898310
20898310
20898312
20898312

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Popular Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone [3-(2,4-dimethoxyphenyl)-1-pheny…

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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) 3.42 10.61 -14.61 0 6 0 57 405.498 5 ↓

Analogs

20898308
20898308
20898310
20898310
20898312
20898312
20893349
20893349

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Popular Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone [3-(2,4-dimethoxyphenyl)-1-pheny…

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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) 3.42 10.62 -14.33 0 6 0 57 405.498 5 ↓

Analogs

20898296
20898296
20898298
20898298
16641828
16641828
16641829
16641829

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Popular Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3R,5S)-3,5-dimethyl-1-piperidyl]methanone [3-(2,5-dimethoxyphenyl)-1-pheny…

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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) 3.90 11.17 -16.37 0 6 0 57 419.525 5 ↓

Analogs

20898298
20898298
16641828
16641828
16641829
16641829
20898294
20898294

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3R,5R)-3,5-dimethyl-1-piperidyl]methanone [3-(2,5-dimethoxyphenyl)-1-pheny…

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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) 3.90 11.44 -16.12 0 6 0 57 419.525 5 ↓

Analogs

16641828
16641828
16641829
16641829
20898294
20898294
20898296
20898296

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone [3-(2,5-dimethoxyphenyl)-1-pheny…

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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) 3.90 11.5 -16.92 0 6 0 57 419.525 5 ↓

Analogs

20898310
20898310
20898312
20898312
39563802
39563802
20893349
20893349
20893352
20893352

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3R,5S)-3,5-dimethyl-1-piperidyl]methanone [3-(2,4-dimethoxyphenyl)-1-pheny…

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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) 3.90 11.21 -13.86 0 6 0 57 419.525 5 ↓

Analogs

20898312
20898312
20893349
20893349
20893352
20893352
20898308
20898308

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3R,5R)-3,5-dimethyl-1-piperidyl]methanone [3-(2,4-dimethoxyphenyl)-1-pheny…

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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) 3.90 11.46 -14.57 0 6 0 57 419.525 5 ↓

Analogs

20893349
20893349
20893352
20893352
20898308
20898308
20898310
20898310

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone [3-(2,4-dimethoxyphenyl)-1-pheny…

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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) 3.90 11.5 -14.43 0 6 0 57 419.525 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.69 13.42 -17.34 0 6 0 64 417.509 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(2R)-2-methyl-1-piperidyl]methanone [3-(4-methoxyphenyl)-1-phenyl-py…

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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) 3.52 11.05 -12.57 0 5 0 47 375.472 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-[(2S)-2-methyl-1-piperidyl]methanone [3-(4-methoxyphenyl)-1-phenyl-py…

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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) 3.52 11.04 -12.89 0 5 0 47 375.472 4 ↓

Parameters Provided:

ring.id = 75604
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 = 75604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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