UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21004894
21004894
21894700
21894700
23643251
23643251
23911370
23911370
25423919
25423919

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Popular Name: 3-(2,4-dimethoxyphenyl)-N-phenethyl-1-phenyl-pyrazole-4-carboxamide 3-(2,4-dimethoxyphenyl)-N-phenet…

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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) 4.30 10.79 -20.14 1 6 0 65 427.504 8 ↓

Analogs

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Popular Name: 3-(2-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide 3-(2-methoxyphenyl)-N-[2-(2-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) 4.28 10.85 -20.77 1 6 0 65 427.504 8 ↓

Analogs

20892869
20892869

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Popular Name: 3-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide 3-(2,4-dimethoxyphenyl)-N-[2-(2-…

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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) 4.31 10.19 -20.83 1 7 0 75 457.53 9 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide 3-(4-methoxyphenyl)-1-phenyl-N-[…

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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) 3.01 6.37 -24.54 3 8 0 116 476.558 8 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide 3-(3,4-dimethylphenyl)-1-phenyl-…

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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) 3.78 8.28 -24.69 3 7 0 107 474.586 7 ↓

Analogs

17126084
17126084

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Popular Name: 3-(3-methoxyphenyl)-1-(p-tolyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide 3-(3-methoxyphenyl)-1-(p-tolyl)-…

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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) 3.44 7.04 -25.74 3 8 0 116 490.585 8 ↓

Analogs

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Popular Name: 3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide 3-(2,5-dimethoxyphenyl)-N-[2-(4-…

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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) 4.46 10.83 -21.26 1 6 0 65 445.494 8 ↓

Analogs

25423919
25423919
31352463
31352463

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Popular Name: 3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide 3-(2,5-dimethoxyphenyl)-N-[2-(3,…

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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) 3.95 9.94 -24.41 1 8 0 84 487.556 10 ↓

Parameters Provided:

ring.id = 77690
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 = 77690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77690&filter.purchasability=annotated

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