UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(2S,3R,4R,5S,6S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-6-(hydroxyme [(2S,3R,4R,5S,6S)-4,5-dihydroxy-…

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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) -1.65 -5.47 -62.47 5 13 -1 216 511.437 6 ↓

Analogs

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Popular Name: [(2S,3S,4R,5S,6S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-6-(hydroxyme [(2S,3S,4R,5S,6S)-4,5-dihydroxy-…

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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) -1.65 -5.92 -61.36 5 13 -1 216 511.437 6 ↓

Analogs

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Popular Name: Apigenin 7-(6''-acetylglucoside) Apigenin 7-(6''-acetylglucoside)

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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) 1.38 -0.73 -19.99 5 11 0 176 474.418 6 ↓

Analogs

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Popular Name: Apigenin 7-(6''-acetylglucoside) Apigenin 7-(6''-acetylglucoside)

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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) 1.38 -0.34 -18.74 5 11 0 176 474.418 6 ↓

Analogs

33834009
33834009
5742779
5742779

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Popular Name: Apigenin-7-O-Glucoside with HPLC [578-74-5]; (Apigetrin, Cosmiin, Cosmetin) Apigenin-7-O-Glucoside with HPLC…

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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) 0.68 -5.2 -19.04 6 10 0 170 432.381 4 ↓

Analogs

33833234
33833234

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Popular Name: Baicailin Baicailin

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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) 0.55 -0.5 -51.58 5 11 -1 190 445.356 4 ↓
Hi High (pH 8-9.5) 0.55 0.57 -117.87 4 11 -2 193 444.348 4 ↓

Analogs

33833234
33833234
3943903
3943903

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Popular Name: Baicalin with HPLC; (Baicalein-7-O-glucuronide) Baicalin with HPLC; (Baicalein-7…

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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) 0.55 -0.94 -57.04 5 11 -1 190 445.356 4 ↓

Analogs

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Popular Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl 3,5-dihydroxy-2-(4-hydroxyphenyl…

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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) 1.39 -4.05 -16.47 6 10 0 170 432.381 3 ↓
Hi High (pH 8-9.5) 1.39 -3.07 -56.85 5 10 -1 173 431.373 3 ↓

Parameters Provided:

ring.id = 136865
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 = 136865 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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