UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methyl-phenyl)-5-(2-furyl)pyrazole-3-carboxamide 1-(4-chlorophenyl)-N-(4,5-dimeth…

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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 9.84 -13.46 1 7 0 79 437.883 6 ↓

Analogs

31029803
31029803
31921875
31921875
31953982
31953982

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Popular Name: 1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-(2-furyl)pyrazole-3-carboxamide 1-(4-chlorophenyl)-N-[3-(dimethy…

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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) 3.23 9.67 -19.76 1 7 0 80 434.883 5 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(2-furyl)-N-(3-methanesulfonamido-4-methoxy-phenyl)pyrazole-3-carboxamide 1-(4-chlorophenyl)-5-(2-furyl)-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) 3.50 5.94 -16.46 2 9 0 115 486.937 7 ↓
Hi High (pH 8-9.5) 3.50 5.97 -46.89 1 9 -1 118 485.929 7 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-5-(2-furyl)-N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]pyrazole-3-carboxamide 1-(3-chlorophenyl)-5-(2-furyl)-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) 3.33 5.04 -18.78 3 9 0 118 485.953 7 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-5-(2-furyl)-N-methyl-N-phenyl-pyrazole-3-carboxamide 1-(4-chlorophenyl)-5-(2-furyl)-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) 4.53 11.45 -9.61 0 5 0 51 377.831 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-(2-fluorophenyl)-5-(2-furyl)pyrazole-3-carboxamide 1-(4-chlorophenyl)-N-(2-fluoroph…

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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) 4.40 9.9 -8.77 1 5 0 60 381.794 4 ↓

Parameters Provided:

ring.id = 122208
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 = 122208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=122208&filter.purchasability=annotated

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