Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ir2naf7as2uker9c2hohnfaaf1, 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-amino-5-[2-[cyclopentyl(ethyl)amino]acetyl]-1,3-dimethyl-pyrimidine-2,4-dione 6-amino-5-[2-[cyclopentyl(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) 0.32 6.97 -31.4 3 7 1 92 309.39 5 ↓
Hi High (pH 8-9.5) 0.32 5 -9.41 2 7 0 90 308.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[allyl(cyclopentyl)amino]acetyl]-6-amino-1,3-dimethyl-pyrimidine-2,4-dione 5-[2-[allyl(cyclopentyl)amino]ac…

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) 0.59 7.46 -31.11 3 7 1 92 321.401 6 ↓
Mid Mid (pH 6-8) 0.59 5.59 -9.07 2 7 0 90 320.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[allyl(cyclopentyl)amino]acetyl]-6-amino-1-propyl-pyrimidine-2,4-dione 5-[2-[allyl(cyclopentyl)amino]ac…

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) 1.40 6.68 -30.91 4 7 1 102 335.428 8 ↓
Mid Mid (pH 6-8) 1.40 4.81 -8.75 3 7 0 101 334.42 8 ↓

Parameters Provided:

ring.id = 33996
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 = 33996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=33996&filter.purchasability=annotated

Embed Link to Results