Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ucrprihnvj3mh8qhqjj06pa8r5, 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

35892598
35892598
35892608
35892608

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(benzylBLAHyl)piperazin-1-yl]propan-1-one 1-[4-(benzylBLAHyl)piperazin-1-y…

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) 5.36 13.9 -11.62 0 5 0 49 434.609 4 ↓

Analogs

35892621
35892621

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(benzylBLAHyl)piperazin-1-yl]butan-1-one 1-[4-(benzylBLAHyl)piperazin-1-y…

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) 5.92 14.67 -11.39 0 5 0 49 448.636 5 ↓

Analogs

35892608
35892608
35892594
35892594

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(benzylBLAHyl)piperazin-1-yl]-2,2-dimethyl-propan-1-one 1-[4-(benzylBLAHyl)piperazin-1-y…

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) 6.19 14.57 -11.29 0 5 0 49 462.663 4 ↓

Analogs

35892594
35892594
35892598
35892598

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(benzylBLAHyl)piperazin-1-yl]-2-methyl-propan-1-one 1-[4-(benzylBLAHyl)piperazin-1-y…

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) 5.60 14.38 -10.99 0 5 0 49 448.636 4 ↓

Analogs

35892596
35892596

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(benzylBLAHyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one 1-[4-(benzylBLAHyl)piperazin-1-y…

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) 6.46 15.79 -10.01 0 5 0 49 476.69 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(benzylBLAHyl)piperazin-1-yl]heptan-1-one 1-[4-(benzylBLAHyl)piperazin-1-y…

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) 7.44 17.02 -11.38 0 5 0 49 490.717 8 ↓

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) 5.61 13.89 -9.42 0 6 0 59 450.608 5 ↓

Analogs

35888224
35888224

Draw Identity 99% 90% 80% 70%

Popular Name: (4-allylpiperazin-1-yl)-benzyl-BLAH (4-allylpiperazin-1-yl)-benzyl-BLAH

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) 5.81 15.34 -44.23 1 4 1 33 419.618 5 ↓
Mid Mid (pH 6-8) 5.81 13.09 -6.35 0 4 0 32 418.61 5 ↓

Parameters Provided:

ring.id = 40429
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 = 40429 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40429&filter.purchasability=annotated

Embed Link to Results