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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: (2S,3S,4S,5R,6R)-2-[(2R,3R,5S,6R)-5,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-6-met (2S,3S,4S,5R,6R)-2-[(2R,3R,5S,6R…

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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) -2.32 -8.29 -12.48 6 8 0 140 326.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5R,6S)-2-[(2R,3R,5S,6R)-5,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-6-met (2S,3S,4S,5R,6S)-2-[(2R,3R,5S,6R…

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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) -2.32 -8.71 -12.73 6 8 0 140 326.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6R)-2-[(2R,3R,5S,6R)-5,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-6-met (2S,3S,4S,5S,6R)-2-[(2R,3R,5S,6R…

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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) -2.32 -9.71 -11.72 6 8 0 140 326.367 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6S)-2-[(2R,3R,5S,6R)-5,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-6-met (2S,3S,4S,5S,6S)-2-[(2R,3R,5S,6R…

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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) -2.32 -10.05 -11.69 6 8 0 140 326.367 3 ↓

Analogs

12503369
12503369
12503370
12503370
12503372
12503372
12503374
12503374
13551340
13551340

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydrop (2R,3S,4S,5S,6S)-2-(hydroxymethy…

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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) -4.22 -15.74 -13.47 8 10 0 180 358.365 4 ↓

Analogs

12503369
12503369
12503370
12503370
12503372
12503372
12503374
12503374
13551340
13551340

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydrop (2S,3S,4S,5S,6S)-2-(hydroxymethy…

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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) -4.22 -15.97 -14.61 8 10 0 180 358.365 4 ↓

Analogs

12503369
12503369
12503370
12503370
12503372
12503372
12503374
12503374
13551340
13551340

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydrop (2R,3S,4S,5R,6S)-2-(hydroxymethy…

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Activity (Go SEA)

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) -4.22 -16.36 -11.36 8 10 0 180 358.365 4 ↓

Analogs

12503369
12503369
12503370
12503370
12503372
12503372
12503374
12503374
13551340
13551340

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydrop (2S,3S,4S,5R,6S)-2-(hydroxymethy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -4.22 -16.6 -11.8 8 10 0 180 358.365 4 ↓

Parameters Provided:

ring.id = 509366
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 = 509366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=509366&filter.purchasability=annotated

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