Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0ujtovpuhmrvrpnsr1jjq8omj4, 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: 1-[4-(5,6-dihydro-4H-cyclopenta[d]thiophene-2-carbonyl)piperazin-1-yl]ethanone 1-[4-(5,6-dihydro-4H-cyclopenta[…

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) 1.19 6.33 -14.75 0 4 0 41 278.377 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide 2-[4-(5,6-dihydro-4H-cyclopenta[…

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) 1.69 4.11 -15.09 1 6 0 62 365.499 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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) 1.89 5.72 -49.09 2 3 1 37 265.402 1 ↓
Mid Mid (pH 6-8) 1.89 4.43 -6.56 1 3 0 32 264.394 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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) 1.89 6.36 -51.5 2 3 1 37 265.402 1 ↓
Mid Mid (pH 6-8) 1.89 5.04 -7.8 1 3 0 32 264.394 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone 5,6-dihydro-4H-cyclopenta[b]thio…

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) 1.89 6.33 -51.68 2 3 1 37 265.402 1 ↓
Mid Mid (pH 6-8) 1.89 4.98 -8.25 1 3 0 32 264.394 1 ↓

Parameters Provided:

ring.id = 79327
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 = 79327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=79327&filter.purchasability=annotated

Embed Link to Results