Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3mecn0qkjp2t6kih75vpr01es3, 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: 4-methyl-6-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)pyrimidin-2-amine 4-methyl-6-(2-methyl-6,8-dihydro…

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) 0.30 6.72 -31.69 3 6 1 82 257.321 1 ↓
Hi High (pH 8-9.5) 0.30 6.62 -32.61 3 6 1 82 257.321 1 ↓
Mid Mid (pH 6-8) 0.30 6.27 -8.9 2 6 0 81 256.313 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-methyl-pyrimidin-2-amine 4-(6,8-dihydro-5H-pyrido[3,4-d]p…

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) 0.22 6.76 -31.36 3 6 1 82 243.294 1 ↓
Mid Mid (pH 6-8) 0.22 6.31 -8.54 2 6 0 81 242.286 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-6-methyl-pyrimidin-2-amine 4-(2-ethyl-6,8-dihydro-5H-pyrido…

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) 0.88 7.33 -31.63 3 6 1 82 271.348 2 ↓
Hi High (pH 8-9.5) 0.88 7.23 -32.5 3 6 1 82 271.348 2 ↓
Mid Mid (pH 6-8) 0.88 6.89 -8.78 2 6 0 81 270.34 2 ↓

Parameters Provided:

ring.id = 354283
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 = 354283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=354283&filter.purchasability=annotated

Embed Link to Results