Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_h9mhntjll71kecgbqfme35ro21, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4348846
4348846
4348849
4348849

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahy (2S)-2-(3,4-dihydroxyphenyl)-8-h…

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) -0.56 -7.51 -16.09 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
3960618
3960618
4096105
4096105
4096107
4096107

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.1 -16.61 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
4348833
4348833

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.53 -18.79 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
3960619
3960619
4348833
4348833

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.1 -15.9 7 11 0 186 450.396 4 ↓

Analogs

33832827
33832827
3960619
3960619
3960618
3960618

Draw Identity 99% 90% 80% 70%

Popular Name: Eriodictyol-7-O-glucoside with HPLC [38965-51-4] Eriodictyol-7-O-glucoside with H…

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) -0.16 -7.54 -18.07 7 11 0 186 450.396 4 ↓

Analogs

35466129
35466129
35466131
35466131
36532578
36532578
3934761
3934761

Draw Identity 99% 90% 80% 70%

Popular Name: Flavanomarein with HPLC [577-38-8]; (Isookanin-7-O-glucoside) Flavanomarein with HPLC [577-38-…

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) -0.56 -7.45 -16.13 7 11 0 186 450.396 4 ↓

Analogs

35466129
35466129
35466131
35466131
36532578
36532578
3934761
3934761

Draw Identity 99% 90% 80% 70%

Popular Name: Flavanomarein with HPLC [577-38-8]; (Isookanin-7-O-glucoside) Flavanomarein with HPLC [577-38-…

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) -0.56 -7.47 -15.88 7 11 0 186 450.396 4 ↓

Analogs

33833336
33833336
35466129
35466129
35466131
35466131
36532578
36532578
3934761
3934761

Draw Identity 99% 90% 80% 70%

Popular Name: Flavanomarein with HPLC [577-38-8]; (Isookanin-7-O-glucoside) Flavanomarein with HPLC [577-38-…

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) -0.56 -7.88 -17.39 7 11 0 186 450.396 4 ↓

Analogs

31502593
31502593
33833404
33833404
4972905
4972905

Draw Identity 99% 90% 80% 70%

Popular Name: Prunin Prunin

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) 0.33 -5 -14.52 6 10 0 166 434.397 4 ↓

Analogs

33832983
33832983

Draw Identity 99% 90% 80% 70%

Popular Name: Naringenin-7-O-glucoside [529-55-5] Naringenin-7-O-glucoside [529-55-5]

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) 0.33 -5.01 -14.92 6 10 0 166 434.397 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CPD-7073; hesperitin-7-O-beta-D-glucoside CPD-7073; hesperitin-7-O-beta-D-…

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) 0.15 -5.68 -14.73 6 11 0 175 464.423 5 ↓
Hi High (pH 8-9.5) 0.15 -4.69 -61.99 5 11 -1 178 463.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CPD-7073; hesperitin-7-O-beta-D-glucoside CPD-7073; hesperitin-7-O-beta-D-…

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) 0.15 -5.7 -15.13 6 11 0 175 464.423 5 ↓
Hi High (pH 8-9.5) 0.15 -4.71 -61.66 5 11 -1 178 463.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CPD-7073; hesperitin-7-O-beta-D-glucoside CPD-7073; hesperitin-7-O-beta-D-…

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) 0.15 -5.57 -16.67 6 11 0 175 464.423 5 ↓
Hi High (pH 8-9.5) 0.15 -4.58 -61.43 5 11 -1 178 463.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CPD-7073; hesperitin-7-O-beta-D-glucoside CPD-7073; hesperitin-7-O-beta-D-…

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) 0.15 -5.59 -17.49 6 11 0 175 464.423 5 ↓
Hi High (pH 8-9.5) 0.15 -4.6 -61.65 5 11 -1 178 463.415 5 ↓

Analogs

4096135
4096135

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-t (2R,3S,4R,5R,6R)-6-[(2S)-2-(3,4-…

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) -0.28 -2.75 -55.77 6 12 -1 206 463.371 4 ↓
Hi High (pH 8-9.5) -0.28 -1.76 -127.26 5 12 -2 209 462.363 4 ↓

Analogs

4096135
4096135

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R,6R)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-t (2R,3S,4R,5R,6R)-6-[(2R)-2-(3,4-…

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) -0.28 -2.77 -56.15 6 12 -1 206 463.371 4 ↓
Hi High (pH 8-9.5) -0.28 -1.78 -126.55 5 12 -2 209 462.363 4 ↓

Analogs

4096135
4096135

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R,6S)-6-[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-t (2R,3S,4R,5R,6S)-6-[(2S)-2-(3,4-…

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) -0.28 -2.95 -58.27 6 12 -1 206 463.371 4 ↓
Hi High (pH 8-9.5) -0.28 -1.96 -127.45 5 12 -2 209 462.363 4 ↓

Analogs

4096135
4096135

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4R,5R,6S)-6-[(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chroman-7-yl]oxy-3,4,5-trihydroxy-t (2R,3S,4R,5R,6S)-6-[(2R)-2-(3,4-…

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) -0.28 -2.97 -59.49 6 12 -1 206 463.371 4 ↓
Hi High (pH 8-9.5) -0.28 -1.98 -128.11 5 12 -2 209 462.363 4 ↓

Parameters Provided:

ring.id = 94211
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 = 94211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=94211&filter.purchasability=annotated

Embed Link to Results