Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_m183tgthn3ke4ndk3tedqe6n54, 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

14980373
14980373
14980376
14980376

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-2-pyridyl]methanol [4-[methyl-[[(2S)-tetrahydropyra…

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) 1.43 3.23 -27.49 2 4 1 47 237.323 4 ↓

Analogs

14980373
14980373
14980376
14980376

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-2-pyridyl]methanol [4-[methyl-[[(2R)-tetrahydropyra…

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) 1.43 3.2 -30.36 2 4 1 47 237.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyridin-4-amine 2-(chloromethyl)-N-methyl-N-[[(2…

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) 2.66 6.98 -27.84 1 3 1 27 255.769 4 ↓
Hi High (pH 8-9.5) 2.66 6.55 -6.02 0 3 0 25 254.761 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(chloromethyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyridin-4-amine 2-(chloromethyl)-N-methyl-N-[[(2…

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) 2.66 6.95 -30.4 1 3 1 27 255.769 4 ↓
Hi High (pH 8-9.5) 2.66 6.51 -5.49 0 3 0 25 254.761 4 ↓

Analogs

42425373
42425373
42425374
42425374
36896412
36896412
36896413
36896413

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]pyridine-2-carboxylic 4-[methyl-[[(2S)-tetrahydropyran…

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) 1.66 6.33 -31.96 1 5 0 67 250.298 4 ↓

Analogs

42425373
42425373
42425374
42425374
36896412
36896412
36896413
36896413

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]pyridine-2-carboxylic 4-[methyl-[[(2R)-tetrahydropyran…

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) 1.66 6.29 -34.96 1 5 0 67 250.298 4 ↓

Parameters Provided:

ring.id = 18797
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 = 18797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18797&filter.purchasability=annotated

Embed Link to Results