Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4edikkdhd8brp6b3c79fu6pn26, 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: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one 8-[[4-(1,3-benzodioxol-5-ylmethy…

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) 4.43 8.57 -53.98 2 8 1 86 501.559 6 ↓
Mid Mid (pH 6-8) 4.43 6.32 -16.13 1 8 0 85 500.551 6 ↓
Mid Mid (pH 6-8) 4.43 8.61 -51.82 2 8 1 86 501.559 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)-2-methyl-chro 8-[[4-(1,3-benzodioxol-5-ylmethy…

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) 4.65 9.13 -57 2 8 1 86 515.586 6 ↓
Mid Mid (pH 6-8) 4.65 9.14 -54.55 2 8 1 86 515.586 6 ↓
Mid Mid (pH 6-8) 4.65 6.88 -15.74 1 8 0 85 514.578 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-(4-chlorophenyl)-7-hydroxy-chromen-4-one 8-[[4-(1,3-benzodioxol-5-ylmethy…

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) 5.10 9.75 -53.53 2 7 1 77 505.978 5 ↓
Mid Mid (pH 6-8) 5.10 7.49 -14.25 1 7 0 75 504.97 5 ↓
Mid Mid (pH 6-8) 5.10 9.78 -53.36 2 7 1 77 505.978 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-(4-chlorophenyl)-7-hydroxy-2-methyl-chrom 8-[[4-(1,3-benzodioxol-5-ylmethy…

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) 5.32 10.55 -55.97 2 7 1 77 520.005 5 ↓
Mid Mid (pH 6-8) 5.32 10.59 -54.44 2 7 1 77 520.005 5 ↓
Mid Mid (pH 6-8) 5.32 8.3 -13.49 1 7 0 75 518.997 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-4-one 8-[[4-(1,3-benzodioxol-5-ylmethy…

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) 4.47 8.54 -54.75 2 8 1 86 501.559 6 ↓
Mid Mid (pH 6-8) 4.47 6.28 -16.03 1 8 0 85 500.551 6 ↓
Mid Mid (pH 6-8) 4.47 8.56 -54.22 2 8 1 86 501.559 6 ↓

Analogs

28890897
28890897

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-methyl-chro 8-[[4-(1,3-benzodioxol-5-ylmethy…

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) 4.70 9.32 -56.97 2 8 1 86 515.586 6 ↓
Mid Mid (pH 6-8) 4.70 7.07 -14.81 1 8 0 85 514.578 6 ↓
Mid Mid (pH 6-8) 4.70 9.36 -54.86 2 8 1 86 515.586 6 ↓

Parameters Provided:

ring.id = 550028
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 = 550028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=550028&filter.purchasability=annotated

Embed Link to Results