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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(cyclohexylmethyl)benzamide 4-[5-amino-3-(4-chlorophenyl)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) 5.10 11.21 -10.59 3 5 0 73 408.933 5 ↓

Analogs

38737054
38737054
38737131
38737131

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Popular Name: 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(cyclohexylmethyl)benzamide 4-[5-amino-3-[3-(trifluoromethyl…

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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) 5.29 11.69 -12.7 3 5 0 73 442.485 6 ↓
Mid Mid (pH 6-8) 5.29 11.77 -37.67 4 5 1 74 443.493 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(cyclohexylmethyl)benzamide 4-[5-amino-3-(4-methoxyphenyl)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) 4.48 9.98 -11.96 3 6 0 82 404.514 6 ↓
Mid Mid (pH 6-8) 4.48 10.05 -35.4 4 6 1 83 405.522 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(cyclohexylmethyl)benzamide 4-[5-amino-3-(3-chlorophenyl)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) 5.08 11.2 -10.41 3 5 0 73 408.933 5 ↓
Lo Low (pH 4.5-6) 5.08 11.28 -35.32 4 5 1 74 409.941 5 ↓

Analogs

38744188
38744188

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Popular Name: 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-(cyclohexylmethyl)benzamide 4-[5-amino-3-(3,4-dichlorophenyl…

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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) 5.71 11.66 -14.4 3 5 0 73 443.378 5 ↓

Analogs

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Popular Name: 4-[5-amino-3-(m-tolyl)pyrazol-1-yl]-N-(cyclohexylmethyl)benzamide 4-[5-amino-3-(m-tolyl)pyrazol-1-…

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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) 4.85 11.35 -11.55 3 5 0 73 388.515 5 ↓

Parameters Provided:

ring.id = 600099
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 = 600099 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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