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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5R,6S)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)t (2R,3R,4R,5R,6S)-2-[5,7-dihydrox…

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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) -3.08 -11.48 -18.57 9 12 0 212 465.387 4 ↓
Hi High (pH 8-9.5) -3.08 -10.72 -31.69 8 12 0 215 464.379 4 ↓

Analogs

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Popular Name: (2R,3R,4R,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)t (2R,3R,4R,5R,6R)-2-[5,7-dihydrox…

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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) -3.08 -11.13 -18.76 9 12 0 212 465.387 4 ↓
Hi High (pH 8-9.5) -3.08 -10.37 -30.74 8 12 0 215 464.379 4 ↓

Analogs

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Popular Name: Cyanidin 3-(6''-malonylglucoside) Cyanidin 3-(6''-malonylglucoside)

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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) -3.09 -2.79 -71.09 7 14 0 238 534.426 8 ↓
Hi High (pH 8-9.5) -3.09 -2.03 -100.93 6 14 0 240 533.418 8 ↓

Analogs

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Popular Name: Cyanidin 3-(6''-malonylglucoside) Cyanidin 3-(6''-malonylglucoside)

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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) -3.09 -2.97 -66.15 7 14 0 238 534.426 8 ↓
Hi High (pH 8-9.5) -3.09 -2.22 -97.69 6 14 0 240 533.418 8 ↓

Analogs

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Popular Name: Cyanidin 3-(6''-malonylglucoside) Cyanidin 3-(6''-malonylglucoside)

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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) -3.09 -3.76 -67.18 7 14 0 238 534.426 8 ↓
Hi High (pH 8-9.5) -3.09 -3.01 -96.34 6 14 0 240 533.418 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyanidin 3-(6''-malonylglucoside) Cyanidin 3-(6''-malonylglucoside)

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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) -3.09 -3.67 -63.24 7 14 0 238 534.426 8 ↓
Hi High (pH 8-9.5) -3.09 -2.91 -92.51 6 14 0 240 533.418 8 ↓

Analogs

35465764
35465764

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxytetrahydropyran-3,4,5-tr (2S,3S,4R,5R)-2-[2-(3,4-dihydrox…

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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) -2.37 -7 -32.88 7 10 1 171 419.362 3 ↓

Analogs

38473092
38473092
38601496
38601496
38601498
38601498
38601500
38601500
44136129
44136129

Draw Identity 99% 90% 80% 70%

Popular Name: Cyanidin 3-rhamnoside Cyanidin 3-rhamnoside

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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) -1.78 -6.04 -37.89 7 10 1 171 433.389 3 ↓

Analogs

31494764
31494764
38473092
38473092
38601496
38601496
38601498
38601498
38601500
38601500

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tet (2R,3R,4R,5S,6S)-2-[2-(3,4-dihyd…

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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) -2.79 -8.15 -36.31 8 11 1 191 449.388 4 ↓

Analogs

31494764
31494764
38473092
38473092
38601496
38601496
38601498
38601498
38601500
38601500

Draw Identity 99% 90% 80% 70%

Popular Name: Chrysanthemin Chrysanthemin

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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) -2.79 -8.34 -34.32 8 11 1 191 449.388 4 ↓

Analogs

31494764
31494764
38473092
38473092
38601496
38601496
38601498
38601498
38601500
38601500

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tet (2R,3S,4R,5S,6S)-2-[2-(3,4-dihyd…

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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) -2.79 -9.12 -32.8 8 11 1 191 449.388 4 ↓

Analogs

31494764
31494764
38473092
38473092
38601496
38601496
38601498
38601498
38601500
38601500

Draw Identity 99% 90% 80% 70%

Popular Name: Chrysanthemin Chrysanthemin

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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) -2.79 -9.04 -33.2 8 11 1 191 449.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyanidin 3-(6-acetylgalactoside) Cyanidin 3-(6-acetylgalactoside)

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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) -2.09 -3.81 -41.63 7 12 1 198 491.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyanidin 3-(6-acetylgalactoside) Cyanidin 3-(6-acetylgalactoside)

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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) -2.09 -4.56 -38.56 7 12 1 198 491.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyanidin 3-(6''-acetylglucoside) Cyanidin 3-(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) -2.09 -5.03 -41.28 7 12 1 198 491.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Cyanidin 3-(6''-acetylglucoside) Cyanidin 3-(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) -2.09 -4.64 -37.29 7 12 1 198 491.425 6 ↓

Analogs

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Popular Name: chromenylium-7-carboxylic chromenylium-7-carboxylic

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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) -0.72 6.95 -57.37 0 3 0 51 174.155 1 ↓

Analogs

59727068
59727068
4097706
4097706

Draw Identity 99% 90% 80% 70%

Popular Name: Idaein Idaein

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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) -2.79 -9.33 -18.08 8 11 0 191 449.388 4 ↓
Hi High (pH 8-9.5) -2.79 -8.57 -31.86 7 11 0 194 448.38 4 ↓

Analogs

59727068
59727068
4097706
4097706

Draw Identity 99% 90% 80% 70%

Popular Name: Idaein Idaein

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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) -2.79 -8.8 -18.55 8 11 0 191 449.388 4 ↓
Hi High (pH 8-9.5) -2.79 -8.05 -30.83 7 11 0 194 448.38 4 ↓

Analogs

59727068
59727068
4097706
4097706

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tet (2S,3S,4S,5R,6R)-2-[2-(3,4-dihyd…

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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) -2.79 -8.12 -17.44 8 11 0 191 449.388 4 ↓
Hi High (pH 8-9.5) -2.79 -7.36 -30.85 7 11 0 194 448.38 4 ↓

Parameters Provided:

ring.id = 21396
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 = 21396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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