Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_d70ocj29md3nrrjchj0n9ldb56, 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

38263512
38263512

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone 1-[4-(4-methoxyphenyl)piperazin-…

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) 1.23 5.99 -41.71 1 6 1 40 333.456 4 ↓
Hi High (pH 8-9.5) 1.23 3.61 -10.92 0 6 0 39 332.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone 2-[4-(2,2-difluoroethyl)piperazi…

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) 1.80 4.78 -13.48 0 6 0 39 382.455 6 ↓
Lo Low (pH 4.5-6) 1.80 6.93 -42.28 1 6 1 40 383.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (2S)-2-[4-(2,2-difluoroethyl)pip…

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) 1.81 3.53 -12.71 1 6 0 50 382.455 5 ↓
Lo Low (pH 4.5-6) 1.81 5.74 -41.86 2 6 1 51 383.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one (2R)-2-[4-(2,2-difluoroethyl)pip…

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) 1.81 3.31 -12.7 1 6 0 50 382.455 5 ↓
Lo Low (pH 4.5-6) 1.81 5.44 -40.04 2 6 1 51 383.463 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]ethanone 1-[4-(3-chlorophenyl)piperazin-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) 2.40 6 -12.67 0 5 0 30 386.874 5 ↓
Lo Low (pH 4.5-6) 2.40 8.15 -41.54 1 5 1 31 387.882 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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) 2.28 7.03 -14.4 0 7 0 56 394.903 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone 2-[4-(2-methoxyethyl)piperazin-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) 1.16 6.55 -37.69 1 6 1 40 347.483 6 ↓
Mid Mid (pH 6-8) 1.16 4.2 -10.11 0 6 0 39 346.475 6 ↓

Parameters Provided:

ring.id = 126851
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 = 126851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=126851&filter.purchasability=annotated

Embed Link to Results