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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2798061
2798061
32610876
32610876

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(4-chloro-3,5-dimethyl-pheno…

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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) 3.57 0.04 -10.68 0 5 0 47 333.819 4 ↓

Analogs

2800435
2800435
2800464
2800464
28234589
28234589
28234976
28234976
32610871
32610871

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Popular Name: [1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(2-chloro-5-methyl-phenoxy)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) 3.19 -0.21 -11.29 0 5 0 47 319.792 4 ↓

Analogs

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Popular Name: [1-[(3-chlorophenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(3-chlorophenoxy)methyl]pyra…

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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) 2.79 -0.59 -10.31 0 5 0 47 305.765 4 ↓

Analogs

2799305
2799305
2799733
2799733
2802354
2802354
27971795
27971795
27972090
27972090

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Popular Name: [1-[(4-isopropylphenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(4-isopropylphenoxy)methyl]p…

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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) 3.65 0.36 -9.95 0 5 0 47 313.401 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(2-chloro-4-nitro-phenoxy)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) 2.70 -0.01 -16.11 0 8 0 93 350.762 5 ↓

Analogs

2799148
2799148

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Popular Name: [1-(phenoxymethyl)pyrazol-3-yl]-pyrrolidino-methanone [1-(phenoxymethyl)pyrazol-3-yl]-…

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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) 2.14 -0.44 -10.37 0 5 0 47 271.32 4 ↓

Analogs

2799148
2799148

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Popular Name: [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(3,5-dimethylphenoxy)methyl]…

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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) 2.96 0.2 -10.26 0 5 0 47 299.374 4 ↓

Analogs

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Popular Name: [1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(2-nitrophenoxy)methyl]pyraz…

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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) 2.05 0.52 -18.74 0 8 0 93 316.317 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(2,5-dimethylphenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(2,5-dimethylphenoxy)methyl]…

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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) 2.96 0.29 -10.19 0 5 0 47 299.374 4 ↓

Analogs

2799148
2799148

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]-pyrrolidino-methanone [1-[(4-methoxyphenoxy)methyl]pyr…

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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 -0.44 -11.7 0 6 0 56 301.346 5 ↓

Parameters Provided:

ring.id = 240421
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 = 240421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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