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

Analogs

2799678
2799678
2790361
2790361
2793102
2793102

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Popular Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-ethyl-ester [3-[(3,5-dimethylpyrazol-1-yl)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) 4.33 14.26 -13.16 0 8 0 87 446.536 6 ↓

Analogs

2799678
2799678

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Popular Name: [3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [3-[(3,5-dimethyl-4-nitro-pyrazo…

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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) 3.84 14.11 -15.93 0 11 0 133 477.506 6 ↓

Analogs

2808906
2808906
2798775
2798775
2793892
2793892

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Popular Name: [3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [3-[(4-chloro-3,5-dimethyl-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) 4.56 13.82 -13.09 0 8 0 87 466.954 5 ↓

Analogs

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Popular Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [3-[(4-bromo-3,5-dimethyl-pyrazo…

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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) 4.69 13.91 -13.14 0 8 0 87 511.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-bromopyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [3-[(4-bromopyrazol-1-yl)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) 4.25 12.96 -14.44 0 8 0 87 483.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [3-[(4-chloro-3-nitro-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) 4.20 14.47 -22.63 0 11 0 133 483.897 6 ↓

Parameters Provided:

ring.id = 238398
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 = 238398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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