Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_59qc6imo38jpfr63gkhu04ilk6, 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: N-[(1-methyltriazol-4-yl)methyl]-2-morpholino-ethanamine N-[(1-methyltriazol-4-yl)methyl]…

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) -0.47 0.24 -47.79 2 6 1 60 226.304 5 ↓
Hi High (pH 8-9.5) -0.47 -1.12 -11.64 1 6 0 55 225.296 5 ↓
Lo Low (pH 4.5-6) -0.47 2.5 -123.17 3 6 2 61 227.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1-methyltriazol-4-yl)methyl]-2-morpholino-propan-1-amine 2-methyl-N-[(1-methyltriazol-4-y…

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) 0.34 1.67 -45.56 2 6 1 60 254.358 5 ↓
Hi High (pH 8-9.5) 0.34 0.01 -9.34 1 6 0 55 253.35 5 ↓
Lo Low (pH 4.5-6) 0.34 3.63 -120.07 3 6 2 61 255.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-methyl-N-[(1-methyltriazol-4-yl)methyl]-2-morpholino-pentan-1-amine (2S)-4-methyl-N-[(1-methyltriazo…

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 3.08 -48.62 2 6 1 60 282.412 7 ↓
Hi High (pH 8-9.5) 1.17 1.84 -9 1 6 0 55 281.404 7 ↓
Lo Low (pH 4.5-6) 1.17 4.8 -125.9 3 6 2 61 283.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-methyl-N-[(1-methyltriazol-4-yl)methyl]-2-morpholino-pentan-1-amine (2R)-4-methyl-N-[(1-methyltriazo…

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 2.95 -46.6 2 6 1 60 282.412 7 ↓
Hi High (pH 8-9.5) 1.17 3.12 -8.09 1 6 0 55 281.404 7 ↓
Lo Low (pH 4.5-6) 1.17 5.02 -129.11 3 6 2 61 283.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1-methyltriazol-4-yl)methyl]-1-morpholino-propan-2-amine (2S)-N-[(1-methyltriazol-4-yl)me…

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) -0.14 1.52 -43.31 2 6 1 60 240.331 5 ↓
Hi High (pH 8-9.5) -0.14 0.41 -9.54 1 6 0 55 239.323 5 ↓
Lo Low (pH 4.5-6) -0.14 3.31 -119.08 3 6 2 61 241.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1-methyltriazol-4-yl)methyl]-1-morpholino-propan-2-amine (2R)-N-[(1-methyltriazol-4-yl)me…

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) -0.14 1.45 -43.16 2 6 1 60 240.331 5 ↓
Hi High (pH 8-9.5) -0.14 -0.17 -9.34 1 6 0 55 239.323 5 ↓
Lo Low (pH 4.5-6) -0.14 3.35 -123.34 3 6 2 61 241.339 5 ↓

Parameters Provided:

ring.id = 157225
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 = 157225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=157225&filter.purchasability=annotated

Embed Link to Results