Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_b4p4m8vuepo1mjiopgqgfuqjh0, 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

11846121
11846121
21152149
21152149
21152151
21152151
21152394
21152394
21152396
21152396

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]propanamide 2-methyl-N-[(2R)-2-(1-methylpyrr…

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) 1.22 -0.6 -44.25 2 5 1 48 280.392 5 ↓

Analogs

21152149
21152149
21152151
21152151
21152394
21152394
21152396
21152396
11846120
11846120

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]propanamide 2-methyl-N-[(2S)-2-(1-methylpyrr…

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) 1.22 -0.68 -42.56 2 5 1 48 280.392 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]oxamide N-[(2R)-2-(1-methylpyrrol-2-yl)-…

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) -1.17 -2.28 -8.43 3 7 0 90 280.328 5 ↓
Lo Low (pH 4.5-6) -1.17 -0.21 -38.19 4 7 1 91 281.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]oxamide N-[(2S)-2-(1-methylpyrrol-2-yl)-…

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) -1.17 -2.28 -8.57 3 7 0 90 280.328 5 ↓
Lo Low (pH 4.5-6) -1.17 -0.17 -38.35 4 7 1 91 281.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]-N'-(2,2,2-trifluoroethyl)oxamide N-[(2R)-2-(1-methylpyrrol-2-yl)-…

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) 0.13 0.53 -8.07 2 7 0 76 362.352 7 ↓
Lo Low (pH 4.5-6) 0.13 2.59 -39.91 3 7 1 77 363.36 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]-N'-(2,2,2-trifluoroethyl)oxamide N-[(2S)-2-(1-methylpyrrol-2-yl)-…

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) 0.13 0.52 -8.18 2 7 0 76 362.352 7 ↓
Lo Low (pH 4.5-6) 0.13 2.63 -40.1 3 7 1 77 363.36 7 ↓

Parameters Provided:

ring.id = 61721
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 = 61721 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=61721&filter.purchasability=annotated

Embed Link to Results