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

Analogs

2786966
2786966
2787453
2787453
2788772
2788772

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-nitropyrazol-1-yl)methyl]-2-furyl]BLAH [5-[(4-nitropyrazol-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) 3.02 11.78 -19.01 0 10 0 120 407.415 4 ↓

Analogs

2789723
2789723
2789724
2789724
2789956
2789956
2789957
2789957
2790015
2790015

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-furyl]BLAH [5-[(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) 3.57 0.39 -14.39 0 7 0 74 390.472 3 ↓

Analogs

2788349
2788349
2789699
2789699
2789700
2789700
2789789
2789789
2789790
2789790

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-chloropyrazol-1-yl)methyl]-2-furyl]BLAH [5-[(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) 3.73 0.1 -15.24 0 7 0 74 396.863 3 ↓

Analogs

2788349
2788349
2789699
2789699
2789700
2789700
2789789
2789789
2789790
2789790

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Popular Name: [5-[(4-bromopyrazol-1-yl)methyl]-2-furyl]BLAH [5-[(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) 3.87 -0.52 -15.13 0 7 0 74 441.314 3 ↓

Analogs

2789699
2789699
2789700
2789700
2789789
2789789
2789790
2789790
2789810
2789810

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(pyrazol-1-ylmethyl)-2-furyl]BLAH [5-(pyrazol-1-ylmethyl)-2-furyl]…

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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) 3.13 0.24 -15.8 0 7 0 74 362.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-furyl]BLAH [5-[(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) 3.46 12.85 -20.89 0 10 0 120 435.469 4 ↓

Parameters Provided:

ring.id = 235522
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 = 235522 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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