Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_sek8fe0tjt8jmrqe6onmbau9t1, 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

11839284
11839284

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-5-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide N-[[(2S)-5-(5-methyl-2-pyridyl)-…

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) 2.68 -1.81 -14.09 1 4 0 51 328.437 5 ↓
Lo Low (pH 4.5-6) 2.68 -1.67 -39.94 2 4 1 52 329.445 5 ↓

Analogs

11839282
11839282

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-5-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide N-[[(2R)-5-(5-methyl-2-pyridyl)-…

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) 2.68 -1.76 -13.97 1 4 0 51 328.437 5 ↓
Lo Low (pH 4.5-6) 2.68 -1.62 -39.76 2 4 1 52 329.445 5 ↓

Analogs

11840384
11840384

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[[(2R)-5-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide 2,2-dimethyl-N-[[(2R)-5-(5-methy…

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) 4.19 -0.53 -11.59 1 4 0 51 324.424 4 ↓
Lo Low (pH 4.5-6) 4.19 -0.39 -37.35 2 4 1 52 325.432 4 ↓

Analogs

11840383
11840383

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[[(2S)-5-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide 2,2-dimethyl-N-[[(2S)-5-(5-methy…

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) 4.19 -0.55 -11.64 1 4 0 51 324.424 4 ↓
Lo Low (pH 4.5-6) 4.19 -0.41 -37.41 2 4 1 52 325.432 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2S)-2-(aminomethyl)-7-chloro-2,3-dihydrobenzofuran-5-yl]pyridine-3-carboxamide 6-[(2S)-2-(aminomethyl)-7-chloro…

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) 0.83 1.68 -54.17 5 5 1 93 304.757 3 ↓
Hi High (pH 8-9.5) 0.83 1.25 -12.23 4 5 0 91 303.749 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(2R)-2-(aminomethyl)-7-chloro-2,3-dihydrobenzofuran-5-yl]pyridine-3-carboxamide 6-[(2R)-2-(aminomethyl)-7-chloro…

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) 0.83 1.71 -53.8 5 5 1 93 304.757 3 ↓
Hi High (pH 8-9.5) 0.83 1.33 -11.07 4 5 0 91 303.749 3 ↓

Parameters Provided:

ring.id = 58202
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 = 58202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=58202&filter.purchasability=annotated

Embed Link to Results