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

Analogs

2793892
2793892
2798564
2798564
2798775
2798775
2808762
2808762

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Popular Name: [4-[(4-chloropyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(4-chloropyrazol-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) 4.14 12.72 -13.64 0 8 0 87 438.9 5 ↓

Analogs

2799571
2799571

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Popular Name: methyl-[4-[(3-nitropyrazol-1-yl)methyl]phenyl]BLAHcarboxylic-acid-methyl-ester methyl-[4-[(3-nitropyrazol-1-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) 3.62 14.07 -21.86 0 11 0 133 449.452 6 ↓

Analogs

2793102
2793102

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Popular Name: [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(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) 4.28 12.99 -13.66 0 8 0 87 483.351 5 ↓

Analogs

2799678
2799678
2793102
2793102

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Popular Name: [4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(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) 4.59 13.83 -14.54 0 8 0 87 466.954 5 ↓

Analogs

2799678
2799678

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(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) 4.72 13.93 -14.54 0 8 0 87 511.405 5 ↓

Analogs

2791294
2791294

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Popular Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-methyl-BLAHcarboxylic-acid-methyl-ester [4-[(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) 3.87 14.11 -17.31 0 11 0 133 477.506 6 ↓

Analogs

2791170
2791170
2791389
2791389
2793333
2793333

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-[4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]phenyl]BLAHcarboxylic-acid-methyl-ester methyl-[4-[(5-methyl-3-nitro-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) 3.84 14.17 -19.4 0 11 0 133 463.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-dimethyl-BLAH [4-[(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) 4.74 13.8 -14.08 0 6 0 61 422.945 3 ↓

Parameters Provided:

ring.id = 237979
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 = 237979 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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