Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nhhd7sg2mpfdbjuvamu0u00pb0, 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

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2,4-dihydroxyphenyl)-1-[(3R)-5-hydroxy-7-methoxy-2,2-dimethyl-3-(3-methylbut-2-enyl)chroman-6 (E)-3-(2,4-dihydroxyphenyl)-1-[(…

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) 5.91 5.25 -12.91 3 6 0 96 438.52 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(2,4-dihydroxyphenyl)-1-[(3S)-5-hydroxy-7-methoxy-2,2-dimethyl-3-(3-methylbut-2-enyl)chroman-6 (E)-3-(2,4-dihydroxyphenyl)-1-[(…

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) 5.91 5.15 -13.31 3 6 0 96 438.52 6 ↓

Analogs

14557867
14557867
14557870
14557870

Draw Identity 99% 90% 80% 70%

Popular Name: 3',4'-(3-Hydroxy-2,2-dimethyldihydropyrano)-4,2'-dihydroxychalcone 3',4'-(3-Hydroxy-2,2-dimethyldih…

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) 3.23 3.57 -11.41 3 5 0 87 340.375 3 ↓

Analogs

14557867
14557867
14557870
14557870

Draw Identity 99% 90% 80% 70%

Popular Name: 3',4'-(3-Hydroxy-2,2-dimethyldihydropyrano)-4,2'-dihydroxychalcone 3',4'-(3-Hydroxy-2,2-dimethyldih…

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) 3.23 4.14 -13.2 3 5 0 87 340.375 3 ↓

Analogs

14557870
14557870
14615962
14615962
14615963
14615963
15216710
15216710
15216712
15216712

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-hydroxyphenyl)-1-[(3S)-3,5,7-trihydroxy-2,2-dimethyl-chroman-6-yl]prop-2-en-1-one (E)-3-(4-hydroxyphenyl)-1-[(3S)-…

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) 3.15 -0.39 -12.13 4 6 0 107 356.374 3 ↓

Analogs

14615962
14615962
14615963
14615963
15216710
15216710
15216712
15216712
14557867
14557867

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-hydroxyphenyl)-1-[(3R)-3,5,7-trihydroxy-2,2-dimethyl-chroman-6-yl]prop-2-en-1-one (E)-3-(4-hydroxyphenyl)-1-[(3R)-…

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) 3.15 0.18 -12.84 4 6 0 107 356.374 3 ↓

Analogs

39560269
39560269

Draw Identity 99% 90% 80% 70%

Popular Name: M19 M19

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) 4.38 4.97 -11.19 2 5 0 76 354.402 4 ↓

Analogs

14557894
14557894
14615960
14615960
14615961
14615961
15216762
15216762
15216764
15216764

Draw Identity 99% 90% 80% 70%

Popular Name: Xanthohumol B Xanthohumol B

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-2-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other Other 5600 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80418 Z80418 RAW264.7 (Monocytic-macrophage Leukemia Cells) 5600 0.27 Functional ≤ 10μM

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) 3.22 1.76 -11.48 3 6 0 96 370.401 4 ↓

Analogs

14615960
14615960
14615961
14615961
15216762
15216762
15216764
15216764
33832261
33832261

Draw Identity 99% 90% 80% 70%

Popular Name: Xanthohumol B Xanthohumol B

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80418-2-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other Other 5600 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80418 Z80418 RAW264.7 (Monocytic-macrophage Leukemia Cells) 5600 0.27 Functional ≤ 10μM

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) 3.22 2.33 -13.39 3 6 0 96 370.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Isoxanthohumol B Isoxanthohumol B

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) 3.14 2.89 -13.55 3 6 0 96 370.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Isoxanthohumol B Isoxanthohumol B

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) 3.14 2.9 -13.66 3 6 0 96 370.401 4 ↓

Parameters Provided:

ring.id = 140682
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 = 140682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=140682&filter.purchasability=annotated

Embed Link to Results