UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16450543
16450543
16450545
16450545
16450546
16450546

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol (2S,3R,4R,5S,6R)-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) -0.04 -3.88 -10.85 4 8 0 136 317.319 4 ↓

Analogs

3964478
3964478
22063601
22063601
22063605
22063605

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Methylphenyl b-D-thioglucopyranoside 4-Methylphenyl b-D-thioglucopyra…

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) 0.50 -3.7 -6.93 4 5 0 90 286.349 3 ↓

Analogs

4303660
4303660
4303661
4303661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl]acetamide N-[(2R,3R,4R,5R,6R)-4,5-dihydrox…

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) -0.39 -2.81 -13.35 4 6 0 99 313.375 4 ↓

Analogs

4303660
4303660
4303661
4303661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl]acetamide N-[(2R,3S,4R,5R,6R)-4,5-dihydrox…

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) -0.39 -1.09 -14.27 4 6 0 99 313.375 4 ↓

Analogs

4303660
4303660
4303661
4303661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl]acetamide N-[(2R,3R,4S,5R,6R)-4,5-dihydrox…

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) -0.39 -3.35 -12.67 4 6 0 99 313.375 4 ↓

Analogs

4303660
4303660
4303661
4303661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl]acetamide N-[(2R,3S,4S,5R,6R)-4,5-dihydrox…

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) -0.39 -3.56 -14.41 4 6 0 99 313.375 4 ↓

Analogs

17044323
17044323
17044325
17044325
17044327
17044327
17044328
17044328
44135908
44135908

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4R,5S,6R)-2-methylol-6-[(4-nitrophenyl)thio]tetrahydropyran-3,4,5-triol (2S,3S,4R,5S,6R)-2-methylol-6-[(…

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) 0.01 -9.49 -9.98 4 8 0 135 317.319 4 ↓

Parameters Provided:

ring.id = 94184
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 = 94184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=94184&filter.purchasability=annotated

Embed Link to Results