Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_am95tlocglf86l7umqshaue0j0, 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

2621379
2621379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-2-oxo-chromene-3-carboxamide N-[(2S)-2-dimethylamino-2-(4-eth…

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) 3.66 12.57 -72.49 2 5 1 64 365.453 6 ↓
Hi High (pH 8-9.5) 3.66 10.08 -23.24 1 5 0 63 364.445 6 ↓

Analogs

2621379
2621379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-dimethylamino-2-(4-ethylphenyl)ethyl]-2-oxo-chromene-3-carboxamide N-[(2R)-2-dimethylamino-2-(4-eth…

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) 3.66 12.8 -68.07 2 5 1 64 365.453 6 ↓
Hi High (pH 8-9.5) 3.66 10.52 -25.08 1 5 0 63 364.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide N-[(2R)-2-(dimethylamino)-2-phen…

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) 2.76 9.63 -42.85 2 6 1 73 367.425 6 ↓
Hi High (pH 8-9.5) 2.76 7.72 -13.55 1 6 0 72 366.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide N-[(2S)-2-(dimethylamino)-2-phen…

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) 2.76 9.65 -42.77 2 6 1 73 367.425 6 ↓
Hi High (pH 8-9.5) 2.76 7.12 -13.64 1 6 0 72 366.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide N-[(2S)-2-(dimethylamino)-2-(p-t…

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) 3.20 10.32 -42.71 2 6 1 73 381.452 6 ↓
Hi High (pH 8-9.5) 3.20 8.07 -13.39 1 6 0 72 380.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-(p-tolyl)ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide N-[(2R)-2-(dimethylamino)-2-(p-t…

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) 3.20 10.32 -42.89 2 6 1 73 381.452 6 ↓
Hi High (pH 8-9.5) 3.20 8.29 -13.59 1 6 0 72 380.444 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide N-[(2R)-2-(2-chlorophenyl)-2-(di…

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) 3.39 10.34 -37.43 2 6 1 73 401.87 6 ↓
Hi High (pH 8-9.5) 3.39 8.13 -14.3 1 6 0 72 400.862 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-8-methoxy-2-oxo-chromene-3-carboxamide N-[(2S)-2-(2-chlorophenyl)-2-(di…

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) 3.39 10.39 -37.17 2 6 1 73 401.87 6 ↓
Hi High (pH 8-9.5) 3.39 7.28 -14.02 1 6 0 72 400.862 6 ↓

Parameters Provided:

ring.id = 75955
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 = 75955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75955&filter.purchasability=annotated

Embed Link to Results