UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2R,3S,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-te N-[(2R,3S,4R,5S,6R)-2,5-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) -3.78 -10.49 -18 7 11 0 178 367.351 4 ↓

Analogs

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Popular Name: N-[(2R,3S,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyl-te N-[(2R,3S,4R,5S,6R)-2,5-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) -3.78 -10.82 -17.92 7 11 0 178 367.351 4 ↓

Analogs

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Popular Name: Chondroitin D-glucuronate Chondroitin D-glucuronate

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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) -2.82 -9.78 -54.21 5 12 -1 191 408.38 6 ↓

Analogs

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Popular Name: Chondroitin 6'-sulfate Chondroitin 6'-sulfate

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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) -4.76 -10.59 -112.43 4 15 -2 237 487.436 8 ↓

Analogs

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Popular Name: dermatan L-iduronate dermatan L-iduronate

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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) -2.82 -9.09 -61.46 5 12 -1 191 408.38 6 ↓

Analogs

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Popular Name: 3-beta-D-glucosyl-D-glucose; CPD-10703; laminaribiose 3-beta-D-glucosyl-D-glucose; CPD…

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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) -4.45 -15.59 -18.85 8 11 0 190 342.297 4 ↓

Analogs

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Popular Name: 3-beta-D-glucosyl-D-glucose; CPD-10703; laminaribiose 3-beta-D-glucosyl-D-glucose; CPD…

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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) -4.45 -16.73 -17.95 8 11 0 190 342.297 4 ↓

Analogs

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Popular Name: 3-beta-D-glucosyl-D-glucose; CPD-10703; laminaribiose 3-beta-D-glucosyl-D-glucose; CPD…

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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) -4.45 -16.58 -17.89 8 11 0 190 342.297 4 ↓

Analogs

901911
901911
901912
901912
2047756
2047756

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

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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) -3.56 -13.8 -12.92 7 10 0 169 326.298 3 ↓

Analogs

901911
901911
901912
901912
2047756
2047756

Draw Identity 99% 90% 80% 70%

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

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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) -3.56 -14.14 -12.87 7 10 0 169 326.298 3 ↓

Parameters Provided:

ring.id = 20346
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 = 20346 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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