UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(3S)-5-(2-furyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3S)-5-(2-furyl)-3-(3,4,5-tri…

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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) 1.81 6.53 -13.45 0 7 0 74 344.367 5 ↓

Analogs

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Popular Name: 1-[(3R)-5-(2-furyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3R)-5-(2-furyl)-3-(3,4,5-tri…

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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) 1.81 6.52 -13.97 0 7 0 74 344.367 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-(3,4-dimethoxyphenyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3S)-3-(3,4-dimethoxyphenyl)-…

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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) 1.83 6.56 -12.32 0 6 0 64 314.341 4 ↓

Analogs

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Popular Name: 1-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3R)-3-(3,4-dimethoxyphenyl)-…

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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) 1.83 6.56 -12.35 0 6 0 64 314.341 4 ↓

Analogs

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Popular Name: 1-[(3S)-5-(2-furyl)-3-(4-hydroxy-3-methoxy-phenyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3S)-5-(2-furyl)-3-(4-hydroxy…

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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) 1.52 4.5 -11.45 1 6 0 75 300.314 3 ↓

Analogs

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Popular Name: 1-[(3R)-5-(2-furyl)-3-(4-hydroxy-3-methoxy-phenyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3R)-5-(2-furyl)-3-(4-hydroxy…

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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) 1.52 4.49 -12.24 1 6 0 75 300.314 3 ↓

Analogs

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Popular Name: 1-[(3S)-3-(2,3-dichlorophenyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3S)-3-(2,3-dichlorophenyl)-5…

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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) 3.44 8.17 -8.44 0 4 0 46 323.179 2 ↓

Analogs

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Popular Name: 1-[(3R)-3-(2,3-dichlorophenyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3R)-3-(2,3-dichlorophenyl)-5…

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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) 3.44 8.22 -8.65 0 4 0 46 323.179 2 ↓

Analogs

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Popular Name: 1-[(3S)-3-(4-dimethylaminophenyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3S)-3-(4-dimethylaminophenyl…

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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) 2.28 7.79 -10.1 0 5 0 49 297.358 3 ↓

Analogs

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Popular Name: 1-[(3R)-3-(4-dimethylaminophenyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone 1-[(3R)-3-(4-dimethylaminophenyl…

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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) 2.28 7.78 -10.14 0 5 0 49 297.358 3 ↓

Parameters Provided:

ring.id = 468855
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 = 468855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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