UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-3-hydroxy-chromen-4-one 2-(1-ethyl-5-methyl-pyrazol-4-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) 2.42 6.56 -61.27 0 5 -1 71 269.28 2 ↓
Mid Mid (pH 6-8) 2.42 5.77 -11.98 1 5 0 68 270.288 2 ↓

Analogs

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Popular Name: 2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-hydroxy-chromen-4-one 2-(1-ethyl-3,5-dimethyl-pyrazol-…

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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) 2.64 7.17 -60.7 0 5 -1 71 283.307 2 ↓
Mid Mid (pH 6-8) 2.64 6.37 -12.12 1 5 0 68 284.315 2 ↓

Analogs

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Popular Name: 2-(1,3-dimethylpyrazol-4-yl)-6-ethoxy-3-hydroxy-chromen-4-one 2-(1,3-dimethylpyrazol-4-yl)-6-e…

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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) 2.45 5.22 -12.51 1 6 0 77 300.314 3 ↓
Mid Mid (pH 6-8) 2.45 6.04 -57.54 0 6 -1 80 299.306 3 ↓

Analogs

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Popular Name: 3-hydroxy-2-(1-methylpyrazol-4-yl)chromen-4-one 3-hydroxy-2-(1-methylpyrazol-4-y…

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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) 1.82 5.29 -59.23 0 5 -1 71 241.226 1 ↓
Mid Mid (pH 6-8) 1.82 4.5 -12.76 1 5 0 68 242.234 1 ↓

Analogs

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Popular Name: 2-(1,5-dimethylpyrazol-4-yl)-6-ethoxy-3-hydroxy-chromen-4-one 2-(1,5-dimethylpyrazol-4-yl)-6-e…

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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) 2.45 5.16 -13.46 1 6 0 77 300.314 3 ↓
Mid Mid (pH 6-8) 2.45 5.94 -61.91 0 6 -1 80 299.306 3 ↓

Analogs

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Popular Name: 2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-6-methoxy-chromen-4-one 2-(1,3-dimethylpyrazol-4-yl)-3-h…

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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) 2.08 4.3 -12.79 1 6 0 77 286.287 2 ↓
Mid Mid (pH 6-8) 2.08 5.11 -57.79 0 6 -1 80 285.279 2 ↓

Analogs

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Popular Name: 2-(1,5-dimethylpyrazol-4-yl)-3-hydroxy-6-methoxy-chromen-4-one 2-(1,5-dimethylpyrazol-4-yl)-3-h…

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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) 2.08 4.23 -13.75 1 6 0 77 286.287 2 ↓
Mid Mid (pH 6-8) 2.08 5.02 -62.36 0 6 -1 80 285.279 2 ↓

Analogs

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Popular Name: 2-(1-ethylpyrazol-4-yl)-3-hydroxy-6-methoxy-chromen-4-one 2-(1-ethylpyrazol-4-yl)-3-hydrox…

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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) 2.23 4.66 -14.25 1 6 0 77 286.287 3 ↓
Mid Mid (pH 6-8) 2.23 5.45 -60.74 0 6 -1 80 285.279 3 ↓

Analogs

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Popular Name: 2-(1,3-dimethylpyrazol-4-yl)-6-fluoro-3-hydroxy-chromen-4-one 2-(1,3-dimethylpyrazol-4-yl)-6-f…

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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) 1.21 5.88 -52.86 0 5 -1 71 273.243 1 ↓
Mid Mid (pH 6-8) 1.21 5.07 -11 1 5 0 68 274.251 1 ↓

Analogs

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Popular Name: [2-(1,3-dimethylpyrazol-4-yl)-6-fluoro-4-oxo-chromen-3-yl] [2-(1,3-dimethylpyrazol-4-yl)-6-…

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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) 0.98 8.73 -18.8 0 6 0 74 316.288 3 ↓

Parameters Provided:

ring.id = 381422
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 = 381422 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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