Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0lm82j1ph1qe38jhlvsq3k10g2, 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: 6-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-(4-ethylpiperazin-1-yl)thiazolo[4,5-d]pyrimid 6-[2-[(3S,5R)-3,5-dimethyl-1-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) 1.75 11.55 -59.68 1 8 1 76 419.575 4 ↓
Mid Mid (pH 6-8) 1.75 9.34 -22.72 0 8 0 75 418.567 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-(4-ethylpiperazin-1-yl)thiazolo[4,5-d]pyrimid 6-[2-[(3S,5S)-3,5-dimethyl-1-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) 1.75 11.79 -59.84 1 8 1 76 419.575 4 ↓
Mid Mid (pH 6-8) 1.75 9.58 -23.13 0 8 0 75 418.567 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-(4-ethylpiperazin-1-yl)thiazolo[4,5-d]pyrimid 6-[2-[(3R,5R)-3,5-dimethyl-1-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) 1.75 11.79 -59.36 1 8 1 76 419.575 4 ↓
Mid Mid (pH 6-8) 1.75 9.58 -22.46 0 8 0 75 418.567 4 ↓

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) 1.13 11.92 -62.19 1 10 1 102 463.584 7 ↓
Mid Mid (pH 6-8) 1.13 9.71 -24.97 0 10 0 101 462.576 7 ↓

Parameters Provided:

ring.id = 503691
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 = 503691 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=503691&filter.purchasability=annotated

Embed Link to Results