UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(5-fluoro-2-methyl-phenyl)-2-methyl-4-phenyl-pyrazol-3-amine 5-(5-fluoro-2-methyl-phenyl)-2-m…

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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) 3.93 8.98 -8.21 2 3 0 44 281.334 2 ↓
Mid Mid (pH 6-8) 3.93 8.87 -28.58 3 3 1 45 282.342 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-5-(4-fluorophenyl)-1H-pyrazol-3-amine 4-(2-chlorophenyl)-5-(4-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) 4.12 7.33 -6.15 3 3 0 55 287.725 2 ↓
Lo Low (pH 4.5-6) 4.12 7.53 -31.6 4 3 1 56 288.733 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrazol-3-amine 4-(2-chlorophenyl)-5-(4-methoxyp…

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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) 4.01 6.57 -7.44 3 4 0 64 299.761 3 ↓
Lo Low (pH 4.5-6) 4.01 6.76 -30.38 4 4 1 65 300.769 3 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazol-3-amine 4-(2-chlorophenyl)-5-(4-chloroph…

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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) 4.63 7.79 -5.82 3 3 0 55 304.18 2 ↓

Analogs

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Popular Name: 4-(3,4-dichlorophenyl)-5-phenyl-1H-pyrazol-3-amine 4-(3,4-dichlorophenyl)-5-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) 4.61 7.97 -5.16 3 3 0 55 304.18 2 ↓
Lo Low (pH 4.5-6) 4.61 8.1 -32.77 4 3 1 56 305.188 2 ↓

Analogs

44269213
44269213

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Popular Name: 5-(5-bromo-2-chloro-phenyl)-2-methyl-4-phenyl-pyrazol-3-amine 5-(5-bromo-2-chloro-phenyl)-2-me…

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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) 4.81 9.42 -7.63 2 3 0 44 362.658 2 ↓
Lo Low (pH 4.5-6) 4.81 9.37 -27.44 3 3 1 45 363.666 2 ↓

Parameters Provided:

ring.id = 37584
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 = 37584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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